3-[(1-imidazol-1-yl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-1-(2-oxidanylidenepropyl)-4,5-dihydro-3H-1-benzazepin-2-one

Systemtic Name: 3-[(1-imidazol-1-yl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-1-(2-oxidanylidenepropyl)-4,5-dihydro-3H-1-benzazepin-2-one Openeye Name: 1-acetonyl-3-[[1-(imidazole-1-carbonyl)-3-phenyl-propyl]amino]-4,5-dihydro-3H-1-benzazepin-2-one CAS Name: 3-[[1-(1-imidazolyl)-1-oxo-4-phenylbutan-2-yl]amino]-1-(2-oxopropyl)-4,5-dihydro-3H-1-benzazepin-2-one IUPAC Name: 3-[(1-imidazol-1-yl-1-oxo-4-phenylbutan-2-yl)amino]-1-(2-oxopropyl)-4,5-dihydro-3H-1-benzazepin-2-one Traditional Name: 1-acetonyl-3-[[1-(imidazole-1-carbonyl)-3-phenyl-propyl]amino]-4,5-dihydro-3H-1-benzazepin-2-one Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(CCC3=CC=CC=C3)C(=O)N4C=CN=C4

Isomeric SMILES

CC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(CCC3=CC=CC=C3)C(=O)N4C=CN=C4

InChI

InChI=1S/C26H28N4O3/c1-19(31)17-30-24-10-6-5-9-21(24)12-14-23(26(30)33)28-22(25(32)29-16-15-27-18-29)13-11-20-7-3-2-4-8-20/h2-10,15-16,18,22-23,28H,11-14,17H2,1H3