1-(1-methyl-2-oxidanylidene-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea

Systemtic Name: 1-(1-methyl-2-oxidanylidene-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea Openeye Name: 1-[1-methyl-2-oxo-5-(4-pyridyl)-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea IUPAC Name: 1-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea Traditional Name: 1-[2-keto-1-methyl-5-(4-pyridyl)-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C23H21N5O2 MolecularWeight: 399.44514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O2/c1-15-6-5-7-17(14-15)25-23(30)27-21-22(29)28(2)19-9-4-3-8-18(19)20(26-21)16-10-12-24-13-11-16/h3-14,21H,1-2H3,(H2,25,27,30)