(E)-2-(4-oxidanylidene-1H-quinazolin-2-yl)-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-oxidanylidene-1H-quinazolin-2-yl)-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(4-oxo-1H-quinazolin-2-yl)-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(4-oxo-1H-quinazolin-2-yl)-3-[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(4-oxo-1H-quinazolin-2-yl)-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(4-keto-1H-quinazolin-2-yl)-3-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]acrylonitrile Formula: C29H23N5O2 MolecularWeight: 473.52522

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5

InChI

InChI=1S/C29H23N5O2/c1-2-16-36-24-14-12-20(13-15-24)27-22(19-34(33-27)23-8-4-3-5-9-23)17-21(18-30)28-31-26-11-7-6-10-25(26)29(35)32-28/h3-15,17,19H,2,16H2,1H3,(H,31,32,35)/b21-17+