1-[1-(2-cyclohexyl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-(2-cyclohexyl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-(2-cyclohexyl-2-oxo-ethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-(2-cyclohexyl-2-oxoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-(2-cyclohexyl-2-oxoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-(2-cyclohexyl-2-keto-ethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C31H32N4O3 MolecularWeight: 508.61078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)C5CCCCC5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)C5CCCCC5

InChI

InChI=1S/C31H32N4O3/c1-21-11-10-16-24(19-21)32-31(38)34-29-30(37)35(20-27(36)22-12-4-2-5-13-22)26-18-9-8-17-25(26)28(33-29)23-14-6-3-7-15-23/h3,6-11,14-19,22,29H,2,4-5,12-13,20H2,1H3,(H2,32,34,38)