1-[(E)-4-[4-(3-tert-butyl-5-cyclopropyl-phenyl)piperazin-1-yl]-2-methyl-but-2-enyl]-3,4-dihydro-1-benzazepine-2,5-dione

Systemtic Name: 1-[(E)-4-[4-(3-tert-butyl-5-cyclopropyl-phenyl)piperazin-1-yl]-2-methyl-but-2-enyl]-3,4-dihydro-1-benzazepine-2,5-dione Openeye Name: 1-[(E)-4-[4-(3-tert-butyl-5-cyclopropyl-phenyl)piperazin-1-yl]-2-methyl-but-2-enyl]-3,4-dihydro-1-benzazepine-2,5-dione CAS Name: 1-[(E)-4-[4-(3-tert-butyl-5-cyclopropylphenyl)-1-piperazinyl]-2-methylbut-2-enyl]-3,4-dihydro-1-benzazepine-2,5-dione IUPAC Name: 1-[(E)-4-[4-(3-tert-butyl-5-cyclopropylphenyl)piperazin-1-yl]-2-methylbut-2-enyl]-3,4-dihydro-1-benzazepine-2,5-dione Traditional Name: 1-[(E)-4-[4-(3-tert-butyl-5-cyclopropyl-phenyl)piperazino]-2-methyl-but-2-enyl]-3,4-dihydro-1-benzazepine-2,5-quinone Formula: C32H41N3O2 MolecularWeight: 499.68684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1CCN(CC1)C2=CC(=CC(=C2)C(C)(C)C)C3CC3)CN4C(=O)CCC(=O)C5=CC=CC=C54

Isomeric SMILES

C/C(=C\CN1CCN(CC1)C2=CC(=CC(=C2)C(C)(C)C)C3CC3)/CN4C(=O)CCC(=O)C5=CC=CC=C54

InChI

InChI=1S/C32H41N3O2/c1-23(22-35-29-8-6-5-7-28(29)30(36)11-12-31(35)37)13-14-33-15-17-34(18-16-33)27-20-25(24-9-10-24)19-26(21-27)32(2,3)4/h5-8,13,19-21,24H,9-12,14-18,22H2,1-4H3/b23-13+