(4-nitrophenyl) N-[(3R)-5-cycloheptyl-1-(2-methylpropyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (4-nitrophenyl) N-[(3R)-5-cycloheptyl-1-(2-methylpropyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: (4-nitrophenyl) N-[(3R)-5-cycloheptyl-1-isobutyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[(3R)-5-cycloheptyl-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) N-[(3R)-5-cycloheptyl-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[(3R)-5-cycloheptyl-1-isobutyl-2-keto-3H-1,4-benzodiazepin-3-yl]carbamic acid (4-nitrophenyl) ester Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C4CCCCCC4

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C4CCCCCC4

InChI

InChI=1S/C27H32N4O5/c1-18(2)17-30-23-12-8-7-11-22(23)24(19-9-5-3-4-6-10-19)28-25(26(30)32)29-27(33)36-21-15-13-20(14-16-21)31(34)35/h7-8,11-16,18-19,25H,3-6,9-10,17H2,1-2H3,(H,29,33)/t25-/m0/s1