(4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)OCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)OCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H18N4O3/c27-21(29-15-20-24-19-9-5-4-8-18(19)22(28)25-20)11-10-17-12-23-26(14-17)13-16-6-2-1-3-7-16/h1-12,14H,13,15H2,(H,24,25,28)/b11-10+