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

Systemtic Name: (Z)-3-[3-(3-chloranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-4aH-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (Z)-3-[3-(3-chloro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxo-4aH-quinazolin-2-yl)prop-2-enenitrile CAS Name: (Z)-3-[3-(3-chloro-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]-2-(4-oxo-4aH-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (Z)-3-[3-(3-chloro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]-2-(4-oxo-4aH-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (Z)-3-[3-(3-chloro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-keto-4aH-quinazolin-2-yl)acrylonitrile Formula: C29H22ClN5O2 MolecularWeight: 507.97028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C29H22ClN5O2/c1-2-14-37-26-13-12-19(16-24(26)30)27-21(18-35(34-27)22-8-4-3-5-9-22)15-20(17-31)28-32-25-11-7-6-10-23(25)29(36)33-28/h3-13,15-16,18,23H,2,14H2,1H3/b20-15-