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

Systemtic Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloranyl-ethenyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloro-vinyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloroethenyl]-9-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloroethenyl]-9-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloro-vinyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C21H21ClN2O MolecularWeight: 352.85724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)C(=CC3=CC=C(C=C3)C(C)(C)C)Cl

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)/C(=C/C3=CC=C(C=C3)C(C)(C)C)/Cl

InChI

InChI=1S/C21H21ClN2O/c1-14-6-5-11-24-19(25)13-18(23-20(14)24)17(22)12-15-7-9-16(10-8-15)21(2,3)4/h5-13H,1-4H3/b17-12-