1-(3-methylphenyl)-3-(1,5,9-trimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)urea

Systemtic Name: 1-(3-methylphenyl)-3-(1,5,9-trimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)urea Openeye Name: 1-(m-tolyl)-3-(1,5,9-trimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)urea CAS Name: 1-(3-methylphenyl)-3-(1,5,9-trimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)urea IUPAC Name: 1-(3-methylphenyl)-3-(1,5,9-trimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)urea Traditional Name: 1-(2-keto-1,5,9-trimethyl-3H-1,4-benzodiazepin-3-yl)-3-(m-tolyl)urea Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2/c1-12-7-5-9-15(11-12)22-20(26)23-18-19(25)24(4)17-13(2)8-6-10-16(17)14(3)21-18/h5-11,18H,1-4H3,(H2,22,23,26)