2-[(Z)-2-(3-butoxy-4-methoxy-phenyl)-1-chloranyl-ethenyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[(Z)-2-(3-butoxy-4-methoxy-phenyl)-1-chloranyl-ethenyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[(Z)-2-(3-butoxy-4-methoxy-phenyl)-1-chloro-vinyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[(Z)-2-(3-butoxy-4-methoxyphenyl)-1-chloroethenyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[(Z)-2-(3-butoxy-4-methoxyphenyl)-1-chloroethenyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[(Z)-2-(3-butoxy-4-methoxy-phenyl)-1-chloro-vinyl]-7-chloro-1H-quinazolin-4-one Formula: C21H20Cl2N2O3 MolecularWeight: 419.3011

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C=C(C2=NC(=O)C3=C(N2)C=C(C=C3)Cl)Cl)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)/C=C(/C2=NC(=O)C3=C(N2)C=C(C=C3)Cl)\Cl)OC

InChI

InChI=1S/C21H20Cl2N2O3/c1-3-4-9-28-19-11-13(5-8-18(19)27-2)10-16(23)20-24-17-12-14(22)6-7-15(17)21(26)25-20/h5-8,10-12H,3-4,9H2,1-2H3,(H,24,25,26)/b16-10-