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

Systemtic Name: N-tert-butyl-2-[(3S,5R)-3-[(3-chlorophenyl)carbamoylamino]-5-cyclohexyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[(3S,5R)-3-[(3-chlorophenyl)carbamoylamino]-5-cyclohexyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide CAS Name: N-tert-butyl-2-[(3S,5R)-3-[[(3-chloroanilino)-oxomethyl]amino]-5-cyclohexyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[(3S,5R)-3-[(3-chlorophenyl)carbamoylamino]-5-cyclohexyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[(3S,5R)-3-[(3-chlorophenyl)carbamoylamino]-5-cyclohexyl-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide Formula: C29H37ClN4O3 MolecularWeight: 525.08208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1C2=CC=CC=C2C(CC(C1=O)NC(=O)NC3=CC(=CC=C3)Cl)C4CCCCC4

Isomeric SMILES

CC(C)(C)NC(=O)CN1C2=CC=CC=C2[C@H](C[C@@H](C1=O)NC(=O)NC3=CC(=CC=C3)Cl)C4CCCCC4

InChI

InChI=1S/C29H37ClN4O3/c1-29(2,3)33-26(35)18-34-25-15-8-7-14-22(25)23(19-10-5-4-6-11-19)17-24(27(34)36)32-28(37)31-21-13-9-12-20(30)16-21/h7-9,12-16,19,23-24H,4-6,10-11,17-18H2,1-3H3,(H,33,35)(H2,31,32,37)/t23-,24+/m1/s1