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

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (8-methyl-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 (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-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-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C=CC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)/C=C/C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H20N4O3/c1-16-6-5-9-19-22(16)25-20(26-23(19)29)15-30-21(28)11-10-18-12-24-27(14-18)13-17-7-3-2-4-8-17/h2-12,14H,13,15H2,1H3,(H,25,26,29)/b11-10+