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

Systemtic Name: 6-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide Openeye Name: 6-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide CAS Name: 6-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]-N-[3-(1-imidazolyl)propyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide Traditional Name: 6-[4-(2-ethylbutanoyl)piperazino]-N-(3-imidazol-1-ylpropyl)nicotinamide Formula: C22H32N6O2 MolecularWeight: 412.52848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C22H32N6O2/c1-3-18(4-2)22(30)28-14-12-27(13-15-28)20-7-6-19(16-25-20)21(29)24-8-5-10-26-11-9-23-17-26/h6-7,9,11,16-18H,3-5,8,10,12-15H2,1-2H3,(H,24,29)