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

Systemtic Name: 3-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-3-methyl-butanenitrile dihydrochloride Openeye Name: 3-[4-methoxy-3-[[(2-phenyl-3-piperidyl)amino]methyl]phenyl]-3-methyl-butanenitrile dihydrochloride CAS Name: 3-[4-methoxy-3-[[(2-phenyl-3-piperidinyl)amino]methyl]phenyl]-3-methylbutanenitrile dihydrochloride IUPAC Name: 3-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-3-methylbutanenitrile dihydrochloride Traditional Name: 3-[4-methoxy-3-[[(2-phenyl-3-piperidyl)amino]methyl]phenyl]-3-methyl-butyronitrile dihydrochloride Formula: C24H33Cl2N3O MolecularWeight: 450.44432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O.2ClH/c1-24(2,13-14-25)20-11-12-22(28-3)19(16-20)17-27-21-10-7-15-26-23(21)18-8-5-4-6-9-18;;/h4-6,8-9,11-12,16,21,23,26-27H,7,10,13,15,17H2,1-3H3;2*1H