N-(2,2-dimethylpropyl)-N-[1-(phenylmethyl)-4-(prop-2-enylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-(2,2-dimethylpropyl)-N-[1-(phenylmethyl)-4-(prop-2-enylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-[4-(allylcarbamoyl)-1-benzyl-4-piperidyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide CAS Name: N-(2,2-dimethylpropyl)-N-[4-[oxo-(prop-2-enylamino)methyl]-1-(phenylmethyl)-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-[1-benzyl-4-(prop-2-enylcarbamoyl)piperidin-4-yl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide Traditional Name: N-[4-(allylcarbamoyl)-1-benzyl-4-piperidyl]-N-neopentyl-nicotinamide Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN(C(=O)C1=CN=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)NCC=C

Isomeric SMILES

CC(C)(C)CN(C(=O)C1=CN=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)NCC=C

InChI

InChI=1S/C27H36N4O2/c1-5-15-29-25(33)27(13-17-30(18-14-27)20-22-10-7-6-8-11-22)31(21-26(2,3)4)24(32)23-12-9-16-28-19-23/h5-12,16,19H,1,13-15,17-18,20-21H2,2-4H3,(H,29,33)