2-[4-azanyl-1-(2-oxidanylidene-1H-pyridin-3-yl)butoxy]-4-chloranyl-benzenecarbonitrile

Systemtic Name: 2-[4-azanyl-1-(2-oxidanylidene-1H-pyridin-3-yl)butoxy]-4-chloranyl-benzenecarbonitrile Openeye Name: 2-[4-amino-1-(2-oxo-1H-pyridin-3-yl)butoxy]-4-chloro-benzonitrile CAS Name: 2-[4-amino-1-(2-oxo-1H-pyridin-3-yl)butoxy]-4-chlorobenzonitrile IUPAC Name: 2-[4-amino-1-(2-oxo-1H-pyridin-3-yl)butoxy]-4-chlorobenzonitrile Traditional Name: 2-[4-amino-1-(2-keto-1H-pyridin-3-yl)butoxy]-4-chloro-benzonitrile Formula: C16H16ClN3O2 MolecularWeight: 317.77014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=O)C(=C1)C(CCCN)OC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

C1=CNC(=O)C(=C1)C(CCCN)OC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C16H16ClN3O2/c17-12-6-5-11(10-19)15(9-12)22-14(4-1-7-18)13-3-2-8-20-16(13)21/h2-3,5-6,8-9,14H,1,4,7,18H2,(H,20,21)