N-[4-[(2S,6R)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]butyl]-6-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-[4-[(2S,6R)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]butyl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridyl)-1-piperidyl]butyl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)-1-piperidinyl]butyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[4-[(2S,6R)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]butyl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridyl)piperidino]butyl]-6-keto-1H-pyridine-3-carboxamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C2CCCC(N2CCCCNC(=O)C3=CNC(=O)C=C3)C4=C(C=CC=N4)C

Isomeric SMILES

CC1=C(N=CC=C1)[C@H]2CCC[C@H](N2CCCCNC(=O)C3=CNC(=O)C=C3)C4=C(C=CC=N4)C

InChI

InChI=1S/C27H33N5O2/c1-19-8-6-15-28-25(19)22-10-5-11-23(26-20(2)9-7-16-29-26)32(22)17-4-3-14-30-27(34)21-12-13-24(33)31-18-21/h6-9,12-13,15-16,18,22-23H,3-5,10-11,14,17H2,1-2H3,(H,30,34)(H,31,33)/t22-,23+