8-chloranyl-7-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carbonitrile

Systemtic Name: 8-chloranyl-7-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carbonitrile Openeye Name: 7-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-8-chloro-4-oxo-pyrido[1,2-a]pyrimidine-3-carbonitrile CAS Name: 7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-8-chloro-4-oxo-3-pyrido[1,2-a]pyrimidinecarbonitrile IUPAC Name: 7-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-8-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile Traditional Name: 7-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-8-chloro-4-keto-pyrido[1,2-a]pyrimidine-3-carbonitrile Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CN3C(=NC=C(C3=O)C#N)C=C2Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CN3C(=NC=C(C3=O)C#N)C=C2Cl

InChI

InChI=1S/C21H18ClN3O4/c1-3-4-16-18(6-5-15(12(2)26)20(16)27)29-11-14-10-25-19(7-17(14)22)24-9-13(8-23)21(25)28/h5-7,9-10,27H,3-4,11H2,1-2H3