2-ethanoyl-3-(piperidin-4-ylamino)-1-quinolin-2-yl-pyrrolidine-2-carbonitrile dihydrochloride

Systemtic Name: 2-ethanoyl-3-(piperidin-4-ylamino)-1-quinolin-2-yl-pyrrolidine-2-carbonitrile dihydrochloride Openeye Name: 2-acetyl-3-(4-piperidylamino)-1-(2-quinolyl)pyrrolidine-2-carbonitrile dihydrochloride CAS Name: 2-acetyl-3-(4-piperidinylamino)-1-(2-quinolinyl)-2-pyrrolidinecarbonitrile dihydrochloride IUPAC Name: 2-acetyl-3-(piperidin-4-ylamino)-1-quinolin-2-ylpyrrolidine-2-carbonitrile dihydrochloride Traditional Name: 2-acetyl-3-(4-piperidylamino)-1-(2-quinolyl)pyrrolidine-2-carbonitrile dihydrochloride Formula: C21H27Cl2N5O MolecularWeight: 436.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(CCN1C2=NC3=CC=CC=C3C=C2)NC4CCNCC4)C#N.Cl.Cl

Isomeric SMILES

CC(=O)C1(C(CCN1C2=NC3=CC=CC=C3C=C2)NC4CCNCC4)C#N.Cl.Cl

InChI

InChI=1S/C21H25N5O.2ClH/c1-15(27)21(14-22)19(24-17-8-11-23-12-9-17)10-13-26(21)20-7-6-16-4-2-3-5-18(16)25-20;;/h2-7,17,19,23-24H,8-13H2,1H3;2*1H