1-[(4-cyanophenyl)methyl]-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(4-cyanophenyl)methyl]-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]piperidine-4-carboxamide Openeye Name: 1-[(4-cyanophenyl)methyl]-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]piperidine-4-carboxamide CAS Name: 1-[(4-cyanophenyl)methyl]-N-methyl-N-[4-[[(3S)-3-methyl-1-piperazinyl]methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-cyanophenyl)methyl]-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]piperidine-4-carboxamide Traditional Name: 1-(4-cyanobenzyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazino]methyl]phenyl]isonipecotamide Formula: C27H35N5O MolecularWeight: 445.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)CC2=CC=C(C=C2)N(C)C(=O)C3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@H]1CN(CCN1)CC2=CC=C(C=C2)N(C)C(=O)C3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H35N5O/c1-21-18-32(16-13-29-21)20-24-7-9-26(10-8-24)30(2)27(33)25-11-14-31(15-12-25)19-23-5-3-22(17-28)4-6-23/h3-10,21,25,29H,11-16,18-20H2,1-2H3/t21-/m0/s1