2-[3-methyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-3-[2-(4-methylphenyl)-1H-indol-3-yl]-3H-isoindol-1-one

Systemtic Name: 2-[3-methyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-3-[2-(4-methylphenyl)-1H-indol-3-yl]-3H-isoindol-1-one Openeye Name: 2-[2-methyl-1-(4-phenylpiperazine-1-carbonyl)butyl]-3-[2-(p-tolyl)-1H-indol-3-yl]isoindolin-1-one CAS Name: 2-[3-methyl-1-oxo-1-(4-phenyl-1-piperazinyl)pentan-2-yl]-3-[2-(4-methylphenyl)-1H-indol-3-yl]-3H-isoindol-1-one IUPAC Name: 2-[3-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-3-[2-(4-methylphenyl)-1H-indol-3-yl]-3H-isoindol-1-one Traditional Name: 2-[2-methyl-1-(4-phenylpiperazine-1-carbonyl)butyl]-3-[2-(p-tolyl)-1H-indol-3-yl]isoindolin-1-one Formula: C39H40N4O2 MolecularWeight: 596.7605

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(C4=CC=CC=C4C3=O)C5=C(NC6=CC=CC=C65)C7=CC=C(C=C7)C

Isomeric SMILES

CCC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(C4=CC=CC=C4C3=O)C5=C(NC6=CC=CC=C65)C7=CC=C(C=C7)C

InChI

InChI=1S/C39H40N4O2/c1-4-27(3)36(39(45)42-24-22-41(23-25-42)29-12-6-5-7-13-29)43-37(30-14-8-9-15-31(30)38(43)44)34-32-16-10-11-17-33(32)40-35(34)28-20-18-26(2)19-21-28/h5-21,27,36-37,40H,4,22-25H2,1-3H3