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

Systemtic Name: 2-[1-(azepan-1-yl)-3-methyl-1-oxidanylidene-pentan-2-yl]-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one Openeye Name: 2-[1-(azepane-1-carbonyl)-2-methyl-butyl]-3-[1-methyl-2-(p-tolyl)indol-3-yl]isoindolin-1-one CAS Name: 2-[1-(1-azepanyl)-3-methyl-1-oxopentan-2-yl]-3-[1-methyl-2-(4-methylphenyl)-3-indolyl]-3H-isoindol-1-one IUPAC Name: 2-[1-(azepan-1-yl)-3-methyl-1-oxopentan-2-yl]-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one Traditional Name: 2-[1-(azepane-1-carbonyl)-2-methyl-butyl]-3-[1-methyl-2-(p-tolyl)indol-3-yl]isoindolin-1-one Formula: C36H41N3O2 MolecularWeight: 547.72964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCCCC1)N2C(C3=CC=CC=C3C2=O)C4=C(N(C5=CC=CC=C54)C)C6=CC=C(C=C6)C

Isomeric SMILES

CCC(C)C(C(=O)N1CCCCCC1)N2C(C3=CC=CC=C3C2=O)C4=C(N(C5=CC=CC=C54)C)C6=CC=C(C=C6)C

InChI

InChI=1S/C36H41N3O2/c1-5-25(3)32(36(41)38-22-12-6-7-13-23-38)39-34(27-14-8-9-15-28(27)35(39)40)31-29-16-10-11-17-30(29)37(4)33(31)26-20-18-24(2)19-21-26/h8-11,14-21,25,32,34H,5-7,12-13,22-23H2,1-4H3