2-(4-azanyl-1-pyridin-3-yl-butoxy)-4-chloranyl-benzenecarbonitrile; ethanedioic acid

Systemtic Name: 2-(4-azanyl-1-pyridin-3-yl-butoxy)-4-chloranyl-benzenecarbonitrile; ethanedioic acid Openeye Name: 2-[4-amino-1-(3-pyridyl)butoxy]-4-chloro-benzonitrile; oxalic acid CAS Name: 2-[4-amino-1-(3-pyridinyl)butoxy]-4-chlorobenzonitrile; oxalic acid IUPAC Name: 2-(4-amino-1-pyridin-3-ylbutoxy)-4-chlorobenzonitrile; oxalic acid Traditional Name: 2-[4-amino-1-(3-pyridyl)butoxy]-4-chloro-benzonitrile; oxalic acid Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O.C2H2O4/c17-14-6-5-12(10-19)16(9-14)21-15(4-1-7-18)13-3-2-8-20-11-13;3-1(4)2(5)6/h2-3,5-6,8-9,11,15H,1,4,7,18H2;(H,3,4)(H,5,6)