2-[1-[4-(diphenylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]-3-(1-methylindol-3-yl)-3H-isoindol-1-one

Systemtic Name: 2-[1-[4-(diphenylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]-3-(1-methylindol-3-yl)-3H-isoindol-1-one Openeye Name: 2-[1-(4-benzhydrylpiperazine-1-carbonyl)-2-methyl-butyl]-3-(1-methylindol-3-yl)isoindolin-1-one CAS Name: 2-[1-[4-(diphenylmethyl)-1-piperazinyl]-3-methyl-1-oxopentan-2-yl]-3-(1-methyl-3-indolyl)-3H-isoindol-1-one IUPAC Name: 2-[1-(4-benzhydrylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]-3-(1-methylindol-3-yl)-3H-isoindol-1-one Traditional Name: 2-[1-(4-benzhydrylpiperazine-1-carbonyl)-2-methyl-butyl]-3-(1-methylindol-3-yl)isoindolin-1-one Formula: C40H42N4O2 MolecularWeight: 610.78708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)N4C(C5=CC=CC=C5C4=O)C6=CN(C7=CC=CC=C76)C

Isomeric SMILES

CCC(C)C(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)N4C(C5=CC=CC=C5C4=O)C6=CN(C7=CC=CC=C76)C

InChI

InChI=1S/C40H42N4O2/c1-4-28(2)36(40(46)43-25-23-42(24-26-43)37(29-15-7-5-8-16-29)30-17-9-6-10-18-30)44-38(32-20-11-12-21-33(32)39(44)45)34-27-41(3)35-22-14-13-19-31(34)35/h5-22,27-28,36-38H,4,23-26H2,1-3H3