3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]-5,6-dimethyl-2-pyridin-3-yl-3H-isoindol-1-one

Systemtic Name: 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]-5,6-dimethyl-2-pyridin-3-yl-3H-isoindol-1-one Openeye Name: 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-5,6-dimethyl-2-(3-pyridyl)isoindolin-1-one CAS Name: 3-[2-(4-cyclohexyl-1-piperazinyl)-2-oxoethyl]-5,6-dimethyl-2-(3-pyridinyl)-3H-isoindol-1-one IUPAC Name: 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-5,6-dimethyl-2-pyridin-3-yl-3H-isoindol-1-one Traditional Name: 3-[2-(4-cyclohexylpiperazino)-2-keto-ethyl]-5,6-dimethyl-2-(3-pyridyl)isoindolin-1-one Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(N(C2=O)C3=CN=CC=C3)CC(=O)N4CCN(CC4)C5CCCCC5)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(N(C2=O)C3=CN=CC=C3)CC(=O)N4CCN(CC4)C5CCCCC5)C

InChI

InChI=1S/C27H34N4O2/c1-19-15-23-24(16-20(19)2)27(33)31(22-9-6-10-28-18-22)25(23)17-26(32)30-13-11-29(12-14-30)21-7-4-3-5-8-21/h6,9-10,15-16,18,21,25H,3-5,7-8,11-14,17H2,1-2H3