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

Systemtic Name: 3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]amino]-2-propyl-3H-isoindol-1-one Openeye Name: 3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]-2-propyl-isoindolin-1-one CAS Name: 3-[3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]anilino]-2-propyl-3H-isoindol-1-one IUPAC Name: 3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]-2-propyl-3H-isoindol-1-one Traditional Name: 3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]anilino]-2-propyl-isoindolin-1-one Formula: C28H29ClN4O2 MolecularWeight: 489.00846

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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(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H29ClN4O2/c1-2-13-33-26(24-11-3-4-12-25(24)28(33)35)30-22-9-5-7-20(18-22)27(34)32-16-14-31(15-17-32)23-10-6-8-21(29)19-23/h3-12,18-19,26,30H,2,13-17H2,1H3