(E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-(7-chloro-4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C21H14ClN5O MolecularWeight: 387.82176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=C(C#N)C3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C(\C#N)/C3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C21H14ClN5O/c22-17-6-7-18-19(9-17)25-20(26-21(18)28)16(10-23)8-15-11-24-27(13-15)12-14-4-2-1-3-5-14/h1-9,11,13H,12H2,(H,25,26,28)/b16-8+