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

Systemtic Name: 2-[1-[4-(diphenylmethyl)piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(1H-indol-3-yl)-3H-isoindol-1-one Openeye Name: 2-[1-(4-benzhydrylpiperazine-1-carbonyl)-3-methyl-butyl]-3-(1H-indol-3-yl)isoindolin-1-one CAS Name: 2-[1-[4-(diphenylmethyl)-1-piperazinyl]-4-methyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-3H-isoindol-1-one IUPAC Name: 2-[1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-3H-isoindol-1-one Traditional Name: 2-[1-(4-benzhydrylpiperazine-1-carbonyl)-3-methyl-butyl]-3-(1H-indol-3-yl)isoindolin-1-one Formula: C39H40N4O2 MolecularWeight: 596.7605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)N4C(C5=CC=CC=C5C4=O)C6=CNC7=CC=CC=C76

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)N4C(C5=CC=CC=C5C4=O)C6=CNC7=CC=CC=C76

InChI

InChI=1S/C39H40N4O2/c1-27(2)25-35(43-37(31-18-9-10-19-32(31)38(43)44)33-26-40-34-20-12-11-17-30(33)34)39(45)42-23-21-41(22-24-42)36(28-13-5-3-6-14-28)29-15-7-4-8-16-29/h3-20,26-27,35-37,40H,21-25H2,1-2H3