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

Systemtic Name: 1-(4-bromophenyl)-3-[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Openeye Name: 1-(4-bromophenyl)-3-[1-cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea CAS Name: 1-(4-bromophenyl)-3-[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea IUPAC Name: 1-(4-bromophenyl)-3-[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Traditional Name: 1-(4-bromophenyl)-3-[1-cyclohexyl-4-keto-5-(2-keto-3,3-dimethyl-butyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Formula: C28H35BrN4O3 MolecularWeight: 555.5065

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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=C(C=C3)Br)C4CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC3=CC=C(C=C3)Br)C4CCCCC4

InChI

InChI=1S/C28H35BrN4O3/c1-28(2,3)25(34)18-33-24-12-8-7-11-23(24)32(21-9-5-4-6-10-21)17-22(26(33)35)31-27(36)30-20-15-13-19(29)14-16-20/h7-8,11-16,21-22H,4-6,9-10,17-18H2,1-3H3,(H2,30,31,36)