1-[5-(2,6-dimethoxy-4-methyl-phenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(2-methylphenyl)urea

Systemtic Name: 1-[5-(2,6-dimethoxy-4-methyl-phenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(2-methylphenyl)urea Openeye Name: 1-[5-(2,6-dimethoxy-4-methyl-phenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(o-tolyl)urea CAS Name: 1-[5-(2,6-dimethoxy-4-methylphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(2-methylphenyl)urea IUPAC Name: 1-[5-(2,6-dimethoxy-4-methylphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(2-methylphenyl)urea Traditional Name: 1-[5-(2,6-dimethoxy-4-methyl-phenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-3-(o-tolyl)urea Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=C(C=C(C=C4OC)C)OC)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=C(C=C(C=C4OC)C)OC)C

InChI

InChI=1S/C27H28N4O4/c1-16-14-21(34-4)23(22(15-16)35-5)24-18-11-7-9-13-20(18)31(3)26(32)25(29-24)30-27(33)28-19-12-8-6-10-17(19)2/h6-15,25H,1-5H3,(H2,28,30,33)