N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

Systemtic Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide Openeye Name: N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide CAS Name: N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-1-(1-oxo-3-phenylpropyl)-4-piperidinecarboxamide IUPAC Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide Traditional Name: 1-hydrocinnamoyl-N-[[6-(4-methylpiperazino)-3-pyridyl]methyl]isonipecotamide Formula: C26H35N5O2 MolecularWeight: 449.5884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3CCN(CC3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3CCN(CC3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H35N5O2/c1-29-15-17-30(18-16-29)24-9-7-22(19-27-24)20-28-26(33)23-11-13-31(14-12-23)25(32)10-8-21-5-3-2-4-6-21/h2-7,9,19,23H,8,10-18,20H2,1H3,(H,28,33)