4-chloranyl-2-[methyl-[3-(methylamino)-1-phenyl-propyl]amino]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-chloranyl-2-[methyl-[3-(methylamino)-1-phenyl-propyl]amino]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-2-[methyl-[3-(methylamino)-1-phenyl-propyl]amino]benzonitrile; oxalic acid CAS Name: 4-chloro-2-[methyl-[3-(methylamino)-1-phenylpropyl]amino]benzonitrile; oxalic acid IUPAC Name: 4-chloro-2-[methyl-[3-(methylamino)-1-phenylpropyl]amino]benzonitrile; oxalic acid Traditional Name: 4-chloro-2-[methyl-[3-(methylamino)-1-phenyl-propyl]amino]benzonitrile; oxalic acid Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=CC=C1)N(C)C2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCC(C1=CC=CC=C1)N(C)C2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20ClN3.C2H2O4/c1-21-11-10-17(14-6-4-3-5-7-14)22(2)18-12-16(19)9-8-15(18)13-20;3-1(4)2(5)6/h3-9,12,17,21H,10-11H2,1-2H3;(H,3,4)(H,5,6)