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

Systemtic Name: 3-[[3-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]amino]-2-(3-ethoxypropyl)-3H-isoindol-1-one Openeye Name: 3-[3-(4-benzhydrylpiperazine-1-carbonyl)anilino]-2-(3-ethoxypropyl)isoindolin-1-one CAS Name: 3-[3-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-2-(3-ethoxypropyl)-3H-isoindol-1-one IUPAC Name: 3-[3-(4-benzhydrylpiperazine-1-carbonyl)anilino]-2-(3-ethoxypropyl)-3H-isoindol-1-one Traditional Name: 3-[3-(4-benzhydrylpiperazine-1-carbonyl)anilino]-2-(3-ethoxypropyl)isoindolin-1-one Formula: C37H40N4O3 MolecularWeight: 588.7385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOCCCN1C(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/C37H40N4O3/c1-2-44-26-12-21-41-35(32-19-9-10-20-33(32)37(41)43)38-31-18-11-17-30(27-31)36(42)40-24-22-39(23-25-40)34(28-13-5-3-6-14-28)29-15-7-4-8-16-29/h3-11,13-20,27,34-35,38H,2,12,21-26H2,1H3