1-(5-chloranylpyridin-2-yl)-2-ethanoyl-4-methyl-3-(piperidin-4-ylamino)pyrrolidine-2-carbonitrile dihydrochloride

Systemtic Name: 1-(5-chloranylpyridin-2-yl)-2-ethanoyl-4-methyl-3-(piperidin-4-ylamino)pyrrolidine-2-carbonitrile dihydrochloride Openeye Name: 2-acetyl-1-(5-chloro-2-pyridyl)-4-methyl-3-(4-piperidylamino)pyrrolidine-2-carbonitrile dihydrochloride CAS Name: 2-acetyl-1-(5-chloro-2-pyridinyl)-4-methyl-3-(4-piperidinylamino)-2-pyrrolidinecarbonitrile dihydrochloride IUPAC Name: 2-acetyl-1-(5-chloropyridin-2-yl)-4-methyl-3-(piperidin-4-ylamino)pyrrolidine-2-carbonitrile dihydrochloride Traditional Name: 2-acetyl-1-(5-chloro-2-pyridyl)-4-methyl-3-(4-piperidylamino)pyrrolidine-2-carbonitrile dihydrochloride Formula: C18H26Cl3N5O MolecularWeight: 434.79094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C1NC2CCNCC2)(C#N)C(=O)C)C3=NC=C(C=C3)Cl.Cl.Cl

Isomeric SMILES

CC1CN(C(C1NC2CCNCC2)(C#N)C(=O)C)C3=NC=C(C=C3)Cl.Cl.Cl

InChI

InChI=1S/C18H24ClN5O.2ClH/c1-12-10-24(16-4-3-14(19)9-22-16)18(11-20,13(2)25)17(12)23-15-5-7-21-8-6-15;;/h3-4,9,12,15,17,21,23H,5-8,10H2,1-2H3;2*1H