1-[(3S)-1-(2-cyclohexyl-2-oxidanylidene-ethyl)-5-ethyl-9-methyl-2,3-dihydro-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[(3S)-1-(2-cyclohexyl-2-oxidanylidene-ethyl)-5-ethyl-9-methyl-2,3-dihydro-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[(3S)-1-(2-cyclohexyl-2-oxo-ethyl)-5-ethyl-9-methyl-2,3-dihydro-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[(3S)-1-(2-cyclohexyl-2-oxoethyl)-5-ethyl-9-methyl-2,3-dihydro-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[(3S)-1-(2-cyclohexyl-2-oxoethyl)-5-ethyl-9-methyl-2,3-dihydro-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[(3S)-1-(2-cyclohexyl-2-keto-ethyl)-5-ethyl-9-methyl-2,3-dihydro-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C28H36N4O2 MolecularWeight: 460.61104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(CN(C2=C1C=CC=C2C)CC(=O)C3CCCCC3)NC(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CCC1=N[C@@H](CN(C2=C1C=CC=C2C)CC(=O)C3CCCCC3)NC(=O)NC4=CC=CC(=C4)C

InChI

InChI=1S/C28H36N4O2/c1-4-24-23-15-9-11-20(3)27(23)32(17-25(33)21-12-6-5-7-13-21)18-26(30-24)31-28(34)29-22-14-8-10-19(2)16-22/h8-11,14-16,21,26H,4-7,12-13,17-18H2,1-3H3,(H2,29,31,34)/t26-/m1/s1