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

Systemtic Name: 2-(3-methoxypropyl)-3-[[3-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]amino]-3H-isoindol-1-one Openeye Name: 3-[3-(4-benzylpiperazine-1-carbonyl)anilino]-2-(3-methoxypropyl)isoindolin-1-one CAS Name: 2-(3-methoxypropyl)-3-[3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]anilino]-3H-isoindol-1-one IUPAC Name: 3-[3-(4-benzylpiperazine-1-carbonyl)anilino]-2-(3-methoxypropyl)-3H-isoindol-1-one Traditional Name: 3-[3-(4-benzylpiperazine-1-carbonyl)anilino]-2-(3-methoxypropyl)isoindolin-1-one Formula: C30H34N4O3 MolecularWeight: 498.61596

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H34N4O3/c1-37-20-8-15-34-28(26-13-5-6-14-27(26)30(34)36)31-25-12-7-11-24(21-25)29(35)33-18-16-32(17-19-33)22-23-9-3-2-4-10-23/h2-7,9-14,21,28,31H,8,15-20,22H2,1H3