ethyl 1-[3-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[3-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[3-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]pyrazole-3-carboxylate CAS Name: 1-[3-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]pyrazole-3-carboxylate Traditional Name: 1-[3-[3-(4-ketoquinazolin-3-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1)C2=CC(=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=NN(C=C1)C2=CC(=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H21N5O4/c1-2-32-23(31)20-10-13-28(26-20)17-7-5-6-16(14-17)25-21(29)11-12-27-15-24-19-9-4-3-8-18(19)22(27)30/h3-10,13-15H,2,11-12H2,1H3,(H,25,29)