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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)NC(C)(C)C)NC(=O)NC3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)[C@H](C[C@H](C(=O)N2CC(=O)NC(C)(C)C)NC(=O)NC3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C31H35ClN4O3/c1-5-20-14-15-24-25(21-10-7-6-8-11-21)18-26(34-30(39)33-23-13-9-12-22(32)17-23)29(38)36(27(24)16-20)19-28(37)35-31(2,3)4/h6-17,25-26H,5,18-19H2,1-4H3,(H,35,37)(H2,33,34,39)/t25-,26-/m1/s1