3-[[3-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]amino]-2-(3-methoxypropyl)-3H-isoindol-1-one

Systemtic Name: 3-[[3-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]amino]-2-(3-methoxypropyl)-3H-isoindol-1-one Openeye Name: 3-[3-(4-benzhydrylpiperazine-1-carbonyl)anilino]-2-(3-methoxypropyl)isoindolin-1-one CAS Name: 3-[3-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-2-(3-methoxypropyl)-3H-isoindol-1-one IUPAC Name: 3-[3-(4-benzhydrylpiperazine-1-carbonyl)anilino]-2-(3-methoxypropyl)-3H-isoindol-1-one Traditional Name: 3-[3-(4-benzhydrylpiperazine-1-carbonyl)anilino]-2-(3-methoxypropyl)isoindolin-1-one Formula: C36H38N4O3 MolecularWeight: 574.71192

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H38N4O3/c1-43-25-11-20-40-34(31-18-8-9-19-32(31)36(40)42)37-30-17-10-16-29(26-30)35(41)39-23-21-38(22-24-39)33(27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-10,12-19,26,33-34,37H,11,20-25H2,1H3