1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)urea CAS Name: 1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-methoxyphenyl)urea IUPAC Name: 1-[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-(3-methoxyphenyl)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-methoxyphenyl)urea Formula: C29H38N4O4 MolecularWeight: 506.63642

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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)OC)C4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C29H38N4O4/c1-29(2,3)26(34)19-33-25-16-9-8-15-24(25)32(21-12-6-5-7-13-21)18-23(27(33)35)31-28(36)30-20-11-10-14-22(17-20)37-4/h8-11,14-17,21,23H,5-7,12-13,18-19H2,1-4H3,(H2,30,31,36)