2-cyclopropyl-4-[3-(4-phenylazepan-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-cyclopropyl-4-[3-(4-phenylazepan-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-cyclopropyl-4-[3-(4-phenylazepane-1-carbonyl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-cyclopropyl-4-[3-[oxo-(4-phenyl-1-azepanyl)methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-cyclopropyl-4-[3-(4-phenylazepane-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-cyclopropyl-4-[3-(4-phenylazepane-1-carbonyl)piperidino]isoindoline-1,3-quinone Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)C2CCCN(C2)C3=CC=CC4=C3C(=O)N(C4=O)C5CC5)C6=CC=CC=C6

Isomeric SMILES

C1CC(CCN(C1)C(=O)C2CCCN(C2)C3=CC=CC4=C3C(=O)N(C4=O)C5CC5)C6=CC=CC=C6

InChI

InChI=1S/C29H33N3O3/c33-27(30-16-5-9-21(15-18-30)20-7-2-1-3-8-20)22-10-6-17-31(19-22)25-12-4-11-24-26(25)29(35)32(28(24)34)23-13-14-23/h1-4,7-8,11-12,21-23H,5-6,9-10,13-19H2