N-[6-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]hexyl]-2-phenoxy-pyridine-3-carboxamide

Systemtic Name: N-[6-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]hexyl]-2-phenoxy-pyridine-3-carboxamide Openeye Name: N-[6-[4-[3-(2-methylpropanoylamino)phenyl]-1-piperidyl]hexyl]-2-phenoxy-pyridine-3-carboxamide CAS Name: N-[6-[4-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-1-piperidinyl]hexyl]-2-phenoxy-3-pyridinecarboxamide IUPAC Name: N-[6-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]hexyl]-2-phenoxypyridine-3-carboxamide Traditional Name: N-[6-[4-[3-(isobutyrylamino)phenyl]piperidino]hexyl]-2-phenoxy-nicotinamide Formula: C33H42N4O3 MolecularWeight: 542.71158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCCCCCNC(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCCCCCNC(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C33H42N4O3/c1-25(2)31(38)36-28-13-10-12-27(24-28)26-17-22-37(23-18-26)21-9-4-3-8-19-34-32(39)30-16-11-20-35-33(30)40-29-14-6-5-7-15-29/h5-7,10-16,20,24-26H,3-4,8-9,17-19,21-23H2,1-2H3,(H,34,39)(H,36,38)