methyl 2-[(3-aminocarbonyl-2-phenyl-3,4-dihydropyrazol-5-yl)carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(3-aminocarbonyl-2-phenyl-3,4-dihydropyrazol-5-yl)carbonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-methyl-butanoate CAS Name: 2-[[(3-carbamoyl-2-phenyl-3,4-dihydropyrazol-5-yl)-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-methylbutanoate Traditional Name: 2-[(5-carbamoyl-1-phenyl-2-pyrazoline-3-carbonyl)amino]-3-methyl-butyric acid methyl ester Formula: C17H22N4O4 MolecularWeight: 346.38098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=NN(C(C1)C(=O)N)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)C1=NN(C(C1)C(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C17H22N4O4/c1-10(2)14(17(24)25-3)19-16(23)12-9-13(15(18)22)21(20-12)11-7-5-4-6-8-11/h4-8,10,13-14H,9H2,1-3H3,(H2,18,22)(H,19,23)