(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)CCN2C=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)CCN2C=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C23H19N5O3/c1-16-19(13-24)21(28(26-16)17-7-3-2-4-8-17)14-31-22(29)11-12-27-15-25-20-10-6-5-9-18(20)23(27)30/h2-10,15H,11-12,14H2,1H3