ethyl 5-methyl-1-[4-[3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-[3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[3-(8-methyl-4-oxo-quinazolin-3-yl)propanoylamino]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[[3-(8-methyl-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-[3-(4-keto-8-methyl-quinazolin-3-yl)propanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)CCN3C=NC4=C(C3=O)C=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)CCN3C=NC4=C(C3=O)C=CC=C4C)C

InChI

InChI=1S/C25H25N5O4/c1-4-34-25(33)21-14-27-30(17(21)3)19-10-8-18(9-11-19)28-22(31)12-13-29-15-26-23-16(2)6-5-7-20(23)24(29)32/h5-11,14-15H,4,12-13H2,1-3H3,(H,28,31)