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

Systemtic Name: 4-chloranyl-2-[4-(ethylamino)-1-pyridin-4-yl-butoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-2-[4-(ethylamino)-1-(4-pyridyl)butoxy]benzonitrile; oxalic acid CAS Name: 4-chloro-2-[4-(ethylamino)-1-pyridin-4-ylbutoxy]benzonitrile; oxalic acid IUPAC Name: 4-chloro-2-[4-(ethylamino)-1-pyridin-4-ylbutoxy]benzonitrile; oxalic acid Traditional Name: 4-chloro-2-[4-(ethylamino)-1-(4-pyridyl)butoxy]benzonitrile; oxalic acid Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCCC(C1=CC=NC=C1)OC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCNCCCC(C1=CC=NC=C1)OC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20ClN3O.C2H2O4/c1-2-21-9-3-4-17(14-7-10-22-11-8-14)23-18-12-16(19)6-5-15(18)13-20;3-1(4)2(5)6/h5-8,10-12,17,21H,2-4,9H2,1H3;(H,3,4)(H,5,6)