6-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide

Systemtic Name: 6-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide Openeye Name: 6-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide CAS Name: 6-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide Traditional Name: 6-[4-(2-ethylbutanoyl)piperazino]-N-[2-(1H-imidazol-5-yl)ethyl]nicotinamide Formula: C21H30N6O2 MolecularWeight: 398.5019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCC3=CN=CN3

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCC3=CN=CN3

InChI

InChI=1S/C21H30N6O2/c1-3-16(4-2)21(29)27-11-9-26(10-12-27)19-6-5-17(13-24-19)20(28)23-8-7-18-14-22-15-25-18/h5-6,13-16H,3-4,7-12H2,1-2H3,(H,22,25)(H,23,28)