4-[1-azanyl-6-[(2-methoxyphenyl)methyl]-6-phenyl-piperidin-3-yl]-4-methyl-pent-2-ynenitrile dihydrochloride

Systemtic Name: 4-[1-azanyl-6-[(2-methoxyphenyl)methyl]-6-phenyl-piperidin-3-yl]-4-methyl-pent-2-ynenitrile dihydrochloride Openeye Name: 4-[1-amino-6-[(2-methoxyphenyl)methyl]-6-phenyl-3-piperidyl]-4-methyl-pent-2-ynenitrile dihydrochloride CAS Name: 4-[1-amino-6-[(2-methoxyphenyl)methyl]-6-phenyl-3-piperidinyl]-4-methyl-2-pentynenitrile dihydrochloride IUPAC Name: 4-[1-amino-6-[(2-methoxyphenyl)methyl]-6-phenylpiperidin-3-yl]-4-methylpent-2-ynenitrile dihydrochloride Traditional Name: 4-(1-amino-6-o-anisyl-6-phenyl-3-piperidyl)-4-methyl-pent-2-ynenitrile dihydrochloride Formula: C25H31Cl2N3O MolecularWeight: 460.43914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC#N)C1CCC(N(C1)N)(CC2=CC=CC=C2OC)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CC(C)(C#CC#N)C1CCC(N(C1)N)(CC2=CC=CC=C2OC)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C25H29N3O.2ClH/c1-24(2,15-9-17-26)22-14-16-25(28(27)19-22,21-11-5-4-6-12-21)18-20-10-7-8-13-23(20)29-3;;/h4-8,10-13,22H,14,16,18-19,27H2,1-3H3;2*1H