6-[2-cyano-2-ethanoyl-4-phenyl-3-(piperidin-4-ylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile dihydrochloride

Systemtic Name: 6-[2-cyano-2-ethanoyl-4-phenyl-3-(piperidin-4-ylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile dihydrochloride Openeye Name: 6-[2-acetyl-2-cyano-4-phenyl-3-(4-piperidylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile dihydrochloride CAS Name: 6-[2-acetyl-2-cyano-4-phenyl-3-(4-piperidinylamino)-1-pyrrolidinyl]-3-pyridinecarbonitrile dihydrochloride IUPAC Name: 6-[2-acetyl-2-cyano-4-phenyl-3-(piperidin-4-ylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile dihydrochloride Traditional Name: 6-[2-acetyl-2-cyano-4-phenyl-3-(4-piperidylamino)pyrrolidino]nicotinonitrile dihydrochloride Formula: C24H28Cl2N6O MolecularWeight: 487.42472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(C(CN1C2=NC=C(C=C2)C#N)C3=CC=CC=C3)NC4CCNCC4)C#N.Cl.Cl

Isomeric SMILES

CC(=O)C1(C(C(CN1C2=NC=C(C=C2)C#N)C3=CC=CC=C3)NC4CCNCC4)C#N.Cl.Cl

InChI

InChI=1S/C24H26N6O.2ClH/c1-17(31)24(16-26)23(29-20-9-11-27-12-10-20)21(19-5-3-2-4-6-19)15-30(24)22-8-7-18(13-25)14-28-22;;/h2-8,14,20-21,23,27,29H,9-12,15H2,1H3;2*1H