1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea Openeye Name: 1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea CAS Name: 1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea Traditional Name: 1-[1-cyclohexyl-4-keto-5-(2-keto-3,3-dimethyl-butyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea Formula: C28H35N5O5 MolecularWeight: 521.608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4CCCCC4

InChI

InChI=1S/C28H35N5O5/c1-28(2,3)25(34)18-32-24-15-8-7-14-23(24)31(20-11-5-4-6-12-20)17-22(26(32)35)30-27(36)29-19-10-9-13-21(16-19)33(37)38/h7-10,13-16,20,22H,4-6,11-12,17-18H2,1-3H3,(H2,29,30,36)