4-chloranyl-2-[4-(methylamino)-1-pyridin-3-yl-butoxy]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-chloranyl-2-[4-(methylamino)-1-pyridin-3-yl-butoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-2-[4-(methylamino)-1-(3-pyridyl)butoxy]benzonitrile; oxalic acid CAS Name: 4-chloro-2-[4-(methylamino)-1-(3-pyridinyl)butoxy]benzonitrile; oxalic acid IUPAC Name: 4-chloro-2-[4-(methylamino)-1-pyridin-3-ylbutoxy]benzonitrile; oxalic acid Traditional Name: 4-chloro-2-[4-(methylamino)-1-(3-pyridyl)butoxy]benzonitrile; oxalic acid Formula: C19H20ClN3O5 MolecularWeight: 405.8322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O.C2H2O4/c1-20-8-3-5-16(14-4-2-9-21-12-14)22-17-10-15(18)7-6-13(17)11-19;3-1(4)2(5)6/h2,4,6-7,9-10,12,16,20H,3,5,8H2,1H3;(H,3,4)(H,5,6)