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

Systemtic Name: 1-[(3-cyanophenyl)methyl]-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]piperidine-4-carboxamide Openeye Name: 1-[(3-cyanophenyl)methyl]-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]piperidine-4-carboxamide CAS Name: 1-[(3-cyanophenyl)methyl]-N-methyl-N-[4-[[(3S)-3-methyl-1-piperazinyl]methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-cyanophenyl)methyl]-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]piperidine-4-carboxamide Traditional Name: 1-(3-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=CC(=C4)C#N

Isomeric SMILES

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

InChI

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