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

Systemtic Name: (E)-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C32H29N5O2 MolecularWeight: 515.60496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

CCCCCCOC1=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/C32H29N5O2/c1-2-3-4-10-19-39-27-17-15-23(16-18-27)30-25(22-37(36-30)26-11-6-5-7-12-26)20-24(21-33)31-34-29-14-9-8-13-28(29)32(38)35-31/h5-9,11-18,20,22H,2-4,10,19H2,1H3,(H,34,35,38)/b24-20+