N-tert-butyl-2-[(3R,5S)-3-[(3-chlorophenyl)carbamoylamino]-8-methyl-2-oxidanylidene-5-(phenylmethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[(3R,5S)-3-[(3-chlorophenyl)carbamoylamino]-8-methyl-2-oxidanylidene-5-(phenylmethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]ethanamide Openeye Name: 2-[(3R,5S)-5-benzyl-3-[(3-chlorophenyl)carbamoylamino]-8-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[(3R,5S)-3-[[(3-chloroanilino)-oxomethyl]amino]-8-methyl-2-oxo-5-(phenylmethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide IUPAC Name: 2-[(3R,5S)-5-benzyl-3-[(3-chlorophenyl)carbamoylamino]-8-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-tert-butylacetamide Traditional Name: 2-[(3R,5S)-5-benzyl-3-[(3-chlorophenyl)carbamoylamino]-2-keto-8-methyl-4,5-dihydro-3H-1-benzazepin-1-yl]-N-tert-butyl-acetamide Formula: C31H35ClN4O3 MolecularWeight: 547.0876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)NC(C)(C)C)NC(=O)NC3=CC(=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)[C@H](C[C@H](C(=O)N2CC(=O)NC(C)(C)C)NC(=O)NC3=CC(=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C31H35ClN4O3/c1-20-13-14-25-22(16-21-9-6-5-7-10-21)17-26(34-30(39)33-24-12-8-11-23(32)18-24)29(38)36(27(25)15-20)19-28(37)35-31(2,3)4/h5-15,18,22,26H,16-17,19H2,1-4H3,(H,35,37)(H2,33,34,39)/t22-,26+/m0/s1