3-(3-azanylpropyl)-7-chloranyl-2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinazolin-4-one

Systemtic Name: 3-(3-azanylpropyl)-7-chloranyl-2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinazolin-4-one Openeye Name: 3-(3-aminopropyl)-7-chloro-2-[(E)-2-(2,5-dimethoxyphenyl)vinyl]quinazolin-4-one CAS Name: 3-(3-aminopropyl)-7-chloro-2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-4-quinazolinone IUPAC Name: 3-(3-aminopropyl)-7-chloro-2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinazolin-4-one Traditional Name: 3-(3-aminopropyl)-7-chloro-2-[(E)-2-(2,5-dimethoxyphenyl)vinyl]quinazolin-4-one Formula: C21H22ClN3O3 MolecularWeight: 399.87068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCN

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C/C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCN

InChI

InChI=1S/C21H22ClN3O3/c1-27-16-6-8-19(28-2)14(12-16)4-9-20-24-18-13-15(22)5-7-17(18)21(26)25(20)11-3-10-23/h4-9,12-13H,3,10-11,23H2,1-2H3/b9-4+