methyl 2-cyano-2-[3-[3-(2-methylpiperidin-1-yl)propylamino]quinoxalin-2-yl]ethanoate hydrochloride

Systemtic Name: methyl 2-cyano-2-[3-[3-(2-methylpiperidin-1-yl)propylamino]quinoxalin-2-yl]ethanoate hydrochloride Openeye Name: methyl 2-cyano-2-[3-[3-(2-methyl-1-piperidyl)propylamino]quinoxalin-2-yl]acetate hydrochloride CAS Name: 2-cyano-2-[3-[3-(2-methyl-1-piperidinyl)propylamino]-2-quinoxalinyl]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-cyano-2-[3-[3-(2-methylpiperidin-1-yl)propylamino]quinoxalin-2-yl]acetate hydrochloride Traditional Name: 2-cyano-2-[3-[3-(2-methylpiperidino)propylamino]quinoxalin-2-yl]acetic acid methyl ester hydrochloride Formula: C21H28ClN5O2 MolecularWeight: 417.93232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC.Cl

Isomeric SMILES

CC1CCCCN1CCCNC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC.Cl

InChI

InChI=1S/C21H27N5O2.ClH/c1-15-8-5-6-12-26(15)13-7-11-23-20-19(16(14-22)21(27)28-2)24-17-9-3-4-10-18(17)25-20;/h3-4,9-10,15-16H,5-8,11-13H2,1-2H3,(H,23,25);1H