2-[(Z)-2-(4-butoxyphenyl)-1-chloranyl-ethenyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloranyl-ethenyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloro-vinyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloroethenyl]-9-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloroethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloro-vinyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C2=CC(=O)N3C=CC=C(C3=N2)C)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(/C2=CC(=O)N3C=CC=C(C3=N2)C)\Cl

InChI

InChI=1S/C21H21ClN2O2/c1-3-4-12-26-17-9-7-16(8-10-17)13-18(22)19-14-20(25)24-11-5-6-15(2)21(24)23-19/h5-11,13-14H,3-4,12H2,1-2H3/b18-13-