7-chloranyl-4-cyclohexyl-3-oxidanylidene-N-(phenylmethyl)-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide

Systemtic Name: 7-chloranyl-4-cyclohexyl-3-oxidanylidene-N-(phenylmethyl)-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide Openeye Name: N-benzyl-7-chloro-4-cyclohexyl-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxamide CAS Name: 7-chloro-4-cyclohexyl-3-oxo-N-(phenylmethyl)-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide IUPAC Name: N-benzyl-7-chloro-4-cyclohexyl-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide Traditional Name: N-benzyl-7-chloro-4-cyclohexyl-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxamide Formula: C26H31ClN2O3 MolecularWeight: 454.98894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)NCC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)NCC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C26H31ClN2O3/c1-17(2)24-26(31)29(20-11-7-4-8-12-20)23(21-15-19(27)13-14-22(21)32-24)25(30)28-16-18-9-5-3-6-10-18/h3,5-6,9-10,13-15,17,20,23-24H,4,7-8,11-12,16H2,1-2H3,(H,28,30)