6-chloranyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanyl-4-phenyl-quinazoline-2-carbonitrile

Systemtic Name: 6-chloranyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanyl-4-phenyl-quinazoline-2-carbonitrile Openeye Name: 6-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-4-phenyl-quinazoline-2-carbonitrile CAS Name: 6-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-4-phenyl-2-quinazolinecarbonitrile IUPAC Name: 6-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-4-phenylquinazoline-2-carbonitrile Traditional Name: 6-chloro-3-homoveratryl-4-hydroxy-4-phenyl-quinazoline-2-carbonitrile Formula: C25H22ClN3O3 MolecularWeight: 447.91348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=NC3=C(C2(C4=CC=CC=C4)O)C=C(C=C3)Cl)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=NC3=C(C2(C4=CC=CC=C4)O)C=C(C=C3)Cl)C#N)OC

InChI

InChI=1S/C25H22ClN3O3/c1-31-22-11-8-17(14-23(22)32-2)12-13-29-24(16-27)28-21-10-9-19(26)15-20(21)25(29,30)18-6-4-3-5-7-18/h3-11,14-15,30H,12-13H2,1-2H3