5-[4-(4-azanylbutoxy)-3-chloranyl-phenyl]-6-methyl-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 5-[4-(4-azanylbutoxy)-3-chloranyl-phenyl]-6-methyl-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 5-[4-(4-aminobutoxy)-3-chloro-phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 5-[4-(4-aminobutoxy)-3-chlorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 5-[4-(4-aminobutoxy)-3-chlorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 5-[4-(4-aminobutoxy)-3-chloro-phenyl]-2-keto-6-methyl-1H-pyridine-3-carbonitrile Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=O)N1)C#N)C2=CC(=C(C=C2)OCCCCN)Cl

Isomeric SMILES

CC1=C(C=C(C(=O)N1)C#N)C2=CC(=C(C=C2)OCCCCN)Cl

InChI

InChI=1S/C17H18ClN3O2/c1-11-14(8-13(10-20)17(22)21-11)12-4-5-16(15(18)9-12)23-7-3-2-6-19/h4-5,8-9H,2-3,6-7,19H2,1H3,(H,21,22)