JJN

(6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one

Created:2019-02-28
Last modified:  2019-07-31

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count2
Bond Count55
Aromatic Bond Count12
2D diagram of JJN

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Chemical Component Summary

Name(6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one
Systematic Name (OpenEye OEToolkits)(6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one
FormulaC22 H25 N3 O
Molecular Weight347.453
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN1CCC(C)(CC1)[C]23NC(=O)c4ccccc4[CH]2c5ccccc5N3
SMILESOpenEye OEToolkits2.0.7CC1(CCN(CC1)C)C23C(c4ccccc4C(=O)N2)c5ccccc5N3
Canonical SMILESCACTVS3.385 CN1CCC(C)(CC1)[C@]23NC(=O)c4ccccc4[C@H]2c5ccccc5N3
Canonical SMILESOpenEye OEToolkits2.0.7 CC1(CCN(CC1)C)[C@@]23[C@@H](c4ccccc4C(=O)N2)c5ccccc5N3
InChIInChI1.03 InChI=1S/C22H25N3O/c1-21(11-13-25(2)14-12-21)22-19(17-9-5-6-10-18(17)23-22)15-7-3-4-8-16(15)20(26)24-22/h3-10,19,23H,11-14H2,1-2H3,(H,24,26)/t19-,22+/m0/s1
InChIKeyInChI1.03 WUVGOCFGNZMOJI-SIKLNZKXSA-N

Related Resource References

Resource NameReference
PubChem 138756271