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

Systemtic Name: (E)-3-[3-(3-methyl-4-phenylmethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[3-(4-benzyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-[3-(3-methyl-4-phenylmethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-[3-(3-methyl-4-phenylmethoxyphenyl)-1-phenylpyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[3-(4-benzoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C34H25N5O2 MolecularWeight: 535.5946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C34H25N5O2/c1-23-18-25(16-17-31(23)41-22-24-10-4-2-5-11-24)32-27(21-39(38-32)28-12-6-3-7-13-28)19-26(20-35)33-36-30-15-9-8-14-29(30)34(40)37-33/h2-19,21H,22H2,1H3,(H,36,37,40)/b26-19+