2-[9-chloranyl-8-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[9-chloranyl-8-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[8-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-9-chloro-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]acetonitrile CAS Name: 2-[8-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-9-chloro-4-oxo-3-pyrido[1,2-a]pyrimidinyl]acetonitrile IUPAC Name: 2-[8-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-9-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[8-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-9-chloro-4-keto-pyrido[1,2-a]pyrimidin-3-yl]acetonitrile Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=C(C3=NC=C(C(=O)N3C=C2)CC#N)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=C(C3=NC=C(C(=O)N3C=C2)CC#N)Cl

InChI

InChI=1S/C22H20ClN3O4/c1-3-4-17-18(6-5-16(13(2)27)20(17)28)30-12-15-8-10-26-21(19(15)23)25-11-14(7-9-24)22(26)29/h5-6,8,10-11,28H,3-4,7,12H2,1-2H3