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

Systemtic Name: N-[2-(4-aminocarbonyl-2-azanyl-3-ethyl-phenyl)ethyl]quinoxaline-2-carboxamide trihydrochloride Openeye Name: N-[2-(2-amino-4-carbamoyl-3-ethyl-phenyl)ethyl]quinoxaline-2-carboxamide trihydrochloride CAS Name: N-[2-(2-amino-4-carbamoyl-3-ethylphenyl)ethyl]-2-quinoxalinecarboxamide trihydrochloride IUPAC Name: N-[2-(2-amino-4-carbamoyl-3-ethylphenyl)ethyl]quinoxaline-2-carboxamide trihydrochloride Traditional Name: N-[2-(2-amino-4-carbamoyl-3-ethyl-phenyl)ethyl]quinoxaline-2-carboxamide trihydrochloride Formula: C20H24Cl3N5O2 MolecularWeight: 472.79586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1N)CCNC(=O)C2=NC3=CC=CC=C3N=C2)C(=O)N.Cl.Cl.Cl

Isomeric SMILES

CCC1=C(C=CC(=C1N)CCNC(=O)C2=NC3=CC=CC=C3N=C2)C(=O)N.Cl.Cl.Cl

InChI

InChI=1S/C20H21N5O2.3ClH/c1-2-13-14(19(22)26)8-7-12(18(13)21)9-10-23-20(27)17-11-24-15-5-3-4-6-16(15)25-17;;;/h3-8,11H,2,9-10,21H2,1H3,(H2,22,26)(H,23,27);3*1H