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

Systemtic Name: 2-[(E)-2-[1-(phenylmethyl)-4-pyridin-3-yl-pyrazol-3-yl]ethenyl]-1H-quinazolin-4-one Openeye Name: 2-[(E)-2-[1-benzyl-4-(3-pyridyl)pyrazol-3-yl]vinyl]-1H-quinazolin-4-one CAS Name: 2-[(E)-2-[1-(phenylmethyl)-4-(3-pyridinyl)-3-pyrazolyl]ethenyl]-1H-quinazolin-4-one IUPAC Name: 2-[(E)-2-(1-benzyl-4-pyridin-3-ylpyrazol-3-yl)ethenyl]-1H-quinazolin-4-one Traditional Name: 2-[(E)-2-[1-benzyl-4-(3-pyridyl)pyrazol-3-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)C=CC3=NC(=O)C4=CC=CC=C4N3)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)/C=C/C3=NC(=O)C4=CC=CC=C4N3)C5=CN=CC=C5

InChI

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