3-(3-azanylpropyl)-6-chloranyl-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one

Systemtic Name: 3-(3-azanylpropyl)-6-chloranyl-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one Openeye Name: 3-(3-aminopropyl)-6-chloro-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one CAS Name: 3-(3-aminopropyl)-6-chloro-2-[4-(2,4-dimethoxyphenyl)phenyl]-4-quinazolinone IUPAC Name: 3-(3-aminopropyl)-6-chloro-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one Traditional Name: 3-(3-aminopropyl)-6-chloro-2-[4-(2,4-dimethoxyphenyl)phenyl]quinazolin-4-one Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Cl)C(=O)N3CCCN)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Cl)C(=O)N3CCCN)OC

InChI

InChI=1S/C25H24ClN3O3/c1-31-19-9-10-20(23(15-19)32-2)16-4-6-17(7-5-16)24-28-22-11-8-18(26)14-21(22)25(30)29(24)13-3-12-27/h4-11,14-15H,3,12-13,27H2,1-2H3