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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(CCN1C2=NC=CC3=CC=CC=C32)NC4CCNCC4)C#N.Cl.Cl

Isomeric SMILES

CC(=O)C1(C(CCN1C2=NC=CC3=CC=CC=C32)NC4CCNCC4)C#N.Cl.Cl

InChI

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