(Z)-3-[3-(3-chloranyl-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-4aH-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (Z)-3-[3-(3-chloranyl-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-4aH-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (Z)-3-[3-(3-chloro-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxo-4aH-quinazolin-2-yl)prop-2-enenitrile CAS Name: (Z)-3-[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-(4-oxo-4aH-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (Z)-3-[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]-2-(4-oxo-4aH-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (Z)-3-[3-(3-chloro-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-keto-4aH-quinazolin-2-yl)acrylonitrile Formula: C28H20ClN5O2 MolecularWeight: 493.9437

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4C=CC=CC4=N3)C5=CC=CC=C5)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C3=NC(=O)C4C=CC=CC4=N3)C5=CC=CC=C5)Cl

InChI

InChI=1S/C28H20ClN5O2/c1-2-36-25-13-12-18(15-23(25)29)26-20(17-34(33-26)21-8-4-3-5-9-21)14-19(16-30)27-31-24-11-7-6-10-22(24)28(35)32-27/h3-15,17,22H,2H2,1H3/b19-14-