2-methyl-4-[[(phenylmethyl)amino]methyl]-N-pyridin-4-yl-cyclohexane-1-carboxamide

Systemtic Name: 2-methyl-4-[[(phenylmethyl)amino]methyl]-N-pyridin-4-yl-cyclohexane-1-carboxamide Openeye Name: 4-[(benzylamino)methyl]-2-methyl-N-(4-pyridyl)cyclohexanecarboxamide CAS Name: 2-methyl-4-[[(phenylmethyl)amino]methyl]-N-pyridin-4-yl-1-cyclohexanecarboxamide IUPAC Name: 4-[(benzylamino)methyl]-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide Traditional Name: 4-[(benzylamino)methyl]-2-methyl-N-(4-pyridyl)cyclohexanecarboxamide Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1C(=O)NC2=CC=NC=C2)CNCC3=CC=CC=C3

Isomeric SMILES

CC1CC(CCC1C(=O)NC2=CC=NC=C2)CNCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-16-13-18(15-23-14-17-5-3-2-4-6-17)7-8-20(16)21(25)24-19-9-11-22-12-10-19/h2-6,9-12,16,18,20,23H,7-8,13-15H2,1H3,(H,22,24,25)