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

Systemtic Name: 1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-phenyl-urea Openeye Name: 1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-phenyl-urea CAS Name: 1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-phenylurea IUPAC Name: 1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-phenylurea Traditional Name: 1-[1-cyclohexyl-4-keto-5-(2-keto-3,3-dimethyl-butyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-phenyl-urea Formula: C28H36N4O3 MolecularWeight: 476.61044

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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)C4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O3/c1-28(2,3)25(33)19-32-24-17-11-10-16-23(24)31(21-14-8-5-9-15-21)18-22(26(32)34)30-27(35)29-20-12-6-4-7-13-20/h4,6-7,10-13,16-17,21-22H,5,8-9,14-15,18-19H2,1-3H3,(H2,29,30,35)