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

Systemtic Name: 2-[(Z)-2-(3-butoxy-4-methoxy-phenyl)-1-chloranyl-ethenyl]-1H-quinazolin-4-one Openeye Name: 2-[(Z)-2-(3-butoxy-4-methoxy-phenyl)-1-chloro-vinyl]-1H-quinazolin-4-one CAS Name: 2-[(Z)-2-(3-butoxy-4-methoxyphenyl)-1-chloroethenyl]-1H-quinazolin-4-one IUPAC Name: 2-[(Z)-2-(3-butoxy-4-methoxyphenyl)-1-chloroethenyl]-1H-quinazolin-4-one Traditional Name: 2-[(Z)-2-(3-butoxy-4-methoxy-phenyl)-1-chloro-vinyl]-1H-quinazolin-4-one Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C=C(C2=NC(=O)C3=CC=CC=C3N2)Cl)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)/C=C(/C2=NC(=O)C3=CC=CC=C3N2)\Cl)OC

InChI

InChI=1S/C21H21ClN2O3/c1-3-4-11-27-19-13-14(9-10-18(19)26-2)12-16(22)20-23-17-8-6-5-7-15(17)21(25)24-20/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24,25)/b16-12-