4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]quinazoline-7-carboxylate

Systemtic Name: 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]quinazoline-7-carboxylate Openeye Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]quinazoline-7-carboxylate CAS Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-7-quinazolinecarboxylate IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinazoline-7-carboxylate Traditional Name: 4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]quinazoline-7-carboxylate Formula: C20H16N5O3- MolecularWeight: 374.37274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC=NC4=C3C=CC(=C4)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC=NC4=C3C=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C20H17N5O3/c1-12-17(19(26)25(24(12)2)14-6-4-3-5-7-14)23-18-15-9-8-13(20(27)28)10-16(15)21-11-22-18/h3-11H,1-2H3,(H,27,28)(H,21,22,23)/p-1