1-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridazin-3-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridazin-3-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-pyridazin-3-yl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(3-pyridazinyl)-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridazin-3-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-pyridazin-3-yl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C27H28N6O3 MolecularWeight: 484.54962

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=NN=CC=C4)CC(=O)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H28N6O3/c1-17-9-7-10-18(15-17)29-26(36)31-24-25(35)33(16-22(34)27(2,3)4)21-13-6-5-11-19(21)23(30-24)20-12-8-14-28-32-20/h5-15,24H,16H2,1-4H3,(H2,29,31,36)