4-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-4-methyl-pent-2-ynenitrile dihydrochloride

Systemtic Name: 4-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-4-methyl-pent-2-ynenitrile dihydrochloride Openeye Name: 4-[4-methoxy-3-[[(2-phenyl-3-piperidyl)amino]methyl]phenyl]-4-methyl-pent-2-ynenitrile dihydrochloride CAS Name: 4-[4-methoxy-3-[[(2-phenyl-3-piperidinyl)amino]methyl]phenyl]-4-methyl-2-pentynenitrile dihydrochloride IUPAC Name: 4-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-4-methylpent-2-ynenitrile dihydrochloride Traditional Name: 4-[4-methoxy-3-[[(2-phenyl-3-piperidyl)amino]methyl]phenyl]-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)C1=CC(=C(C=C1)OC)CNC2CCCNC2C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CC(C)(C#CC#N)C1=CC(=C(C=C1)OC)CNC2CCCNC2C3=CC=CC=C3.Cl.Cl

InChI

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