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

Systemtic Name: 3-[[3-[4-(4-methoxyphenyl)piperazin-1-yl]carbonylphenyl]amino]-2-propyl-3H-isoindol-1-one Openeye Name: 3-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]anilino]-2-propyl-isoindolin-1-one CAS Name: 3-[3-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]anilino]-2-propyl-3H-isoindol-1-one IUPAC Name: 3-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]anilino]-2-propyl-3H-isoindol-1-one Traditional Name: 3-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]anilino]-2-propyl-isoindolin-1-one Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H32N4O3/c1-3-15-33-27(25-9-4-5-10-26(25)29(33)35)30-22-8-6-7-21(20-22)28(34)32-18-16-31(17-19-32)23-11-13-24(36-2)14-12-23/h4-14,20,27,30H,3,15-19H2,1-2H3