(Z)-2-(4-azanylquinazolin-2-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (Z)-2-(4-azanylquinazolin-2-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (Z)-2-(4-aminoquinazolin-2-yl)-3-(1-benzylpyrazol-4-yl)prop-2-enenitrile CAS Name: (Z)-2-(4-amino-2-quinazolinyl)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (Z)-2-(4-aminoquinazolin-2-yl)-3-(1-benzylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (Z)-2-(4-aminoquinazolin-2-yl)-3-(1-benzylpyrazol-4-yl)acrylonitrile Formula: C21H16N6 MolecularWeight: 352.39194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=C(C#N)C3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C(/C#N)\C3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H16N6/c22-11-17(21-25-19-9-5-4-8-18(19)20(23)26-21)10-16-12-24-27(14-16)13-15-6-2-1-3-7-15/h1-10,12,14H,13H2,(H2,23,25,26)/b17-10-