N-[2-(4-aminocarbonyl-2-azanyl-3-ethyl-phenyl)ethyl]quinoline-4-carboxamide trihydrochloride

Systemtic Name: N-[2-(4-aminocarbonyl-2-azanyl-3-ethyl-phenyl)ethyl]quinoline-4-carboxamide trihydrochloride Openeye Name: N-[2-(2-amino-4-carbamoyl-3-ethyl-phenyl)ethyl]quinoline-4-carboxamide trihydrochloride CAS Name: N-[2-(2-amino-4-carbamoyl-3-ethylphenyl)ethyl]-4-quinolinecarboxamide trihydrochloride IUPAC Name: N-[2-(2-amino-4-carbamoyl-3-ethylphenyl)ethyl]quinoline-4-carboxamide trihydrochloride Traditional Name: N-[2-(2-amino-4-carbamoyl-3-ethyl-phenyl)ethyl]cinchoninamide trihydrochloride Formula: C21H25Cl3N4O2 MolecularWeight: 471.8078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1N)CCNC(=O)C2=CC=NC3=CC=CC=C23)C(=O)N.Cl.Cl.Cl

Isomeric SMILES

CCC1=C(C=CC(=C1N)CCNC(=O)C2=CC=NC3=CC=CC=C23)C(=O)N.Cl.Cl.Cl

InChI

InChI=1S/C21H22N4O2.3ClH/c1-2-14-16(20(23)26)8-7-13(19(14)22)9-11-25-21(27)17-10-12-24-18-6-4-3-5-15(17)18;;;/h3-8,10,12H,2,9,11,22H2,1H3,(H2,23,26)(H,25,27);3*1H