1-[1-(2-cyclooctyl-2-oxidanylidene-ethyl)-5,9-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-(2-cyclooctyl-2-oxidanylidene-ethyl)-5,9-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-(2-cyclooctyl-2-oxo-ethyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-(2-cyclooctyl-2-oxoethyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-(2-cyclooctyl-2-oxoethyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-(2-cyclooctyl-2-keto-ethyl)-2-keto-5,9-dimethyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C29H36N4O3 MolecularWeight: 488.62114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C)CC(=O)C4CCCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=C(C=CC=C3C)C(=N2)C)CC(=O)C4CCCCCCC4

InChI

InChI=1S/C29H36N4O3/c1-19-11-9-15-23(17-19)31-29(36)32-27-28(35)33(18-25(34)22-13-7-5-4-6-8-14-22)26-20(2)12-10-16-24(26)21(3)30-27/h9-12,15-17,22,27H,4-8,13-14,18H2,1-3H3,(H2,31,32,36)