2-(4-phenylbutan-2-yl)-3-[(4-pyrrolidin-1-ylcarbonylphenyl)amino]-3H-isoindol-1-one

Systemtic Name: 2-(4-phenylbutan-2-yl)-3-[(4-pyrrolidin-1-ylcarbonylphenyl)amino]-3H-isoindol-1-one Openeye Name: 2-(1-methyl-3-phenyl-propyl)-3-[4-(pyrrolidine-1-carbonyl)anilino]isoindolin-1-one CAS Name: 3-[4-[oxo(1-pyrrolidinyl)methyl]anilino]-2-(4-phenylbutan-2-yl)-3H-isoindol-1-one IUPAC Name: 2-(4-phenylbutan-2-yl)-3-[4-(pyrrolidine-1-carbonyl)anilino]-3H-isoindol-1-one Traditional Name: 2-(1-methyl-3-phenyl-propyl)-3-[4-(pyrrolidine-1-carbonyl)anilino]isoindolin-1-one Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C(=O)N5CCCC5

Isomeric SMILES

CC(CCC1=CC=CC=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C(=O)N5CCCC5

InChI

InChI=1S/C29H31N3O2/c1-21(13-14-22-9-3-2-4-10-22)32-27(25-11-5-6-12-26(25)29(32)34)30-24-17-15-23(16-18-24)28(33)31-19-7-8-20-31/h2-6,9-12,15-18,21,27,30H,7-8,13-14,19-20H2,1H3