N'-(2,5-dimethylphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]ethanediamide

Systemtic Name: N'-(2,5-dimethylphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]ethanediamide Openeye Name: N'-(2,5-dimethylphenyl)-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]oxamide CAS Name: N'-(2,5-dimethylphenyl)-N-[[1-(3-pyridinylmethyl)-4-piperidinyl]methyl]oxamide IUPAC Name: N'-(2,5-dimethylphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]oxamide Traditional Name: N'-(2,5-dimethylphenyl)-N-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]oxamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(=O)NCC2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(=O)NCC2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-16-5-6-17(2)20(12-16)25-22(28)21(27)24-14-18-7-10-26(11-8-18)15-19-4-3-9-23-13-19/h3-6,9,12-13,18H,7-8,10-11,14-15H2,1-2H3,(H,24,27)(H,25,28)