2-[(E)-2-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]ethenyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(E)-2-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]ethenyl]-1H-quinazolin-4-one Openeye Name: 2-[(E)-2-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]vinyl]-1H-quinazolin-4-one CAS Name: 2-[(E)-2-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]ethenyl]-1H-quinazolin-4-one IUPAC Name: 2-[(E)-2-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)ethenyl]-1H-quinazolin-4-one Traditional Name: 2-[(E)-2-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]vinyl]-1H-quinazolin-4-one Formula: C25H19N5O MolecularWeight: 405.45126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C=CC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C/C4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C25H19N5O/c31-25-21-10-4-5-11-22(21)27-23(28-25)13-12-20-17-30(16-18-7-2-1-3-8-18)29-24(20)19-9-6-14-26-15-19/h1-15,17H,16H2,(H,27,28,31)/b13-12+