4-(4-cyanopyridin-2-yl)-N-(2-oxidanylideneazepan-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-(4-cyanopyridin-2-yl)-N-(2-oxidanylideneazepan-3-yl)piperazine-1-carboxamide Openeye Name: 4-(4-cyano-2-pyridyl)-N-(2-oxoazepan-3-yl)piperazine-1-carboxamide CAS Name: 4-(4-cyano-2-pyridinyl)-N-(2-oxo-3-azepanyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-cyanopyridin-2-yl)-N-(2-oxoazepan-3-yl)piperazine-1-carboxamide Traditional Name: 4-(4-cyano-2-pyridyl)-N-(2-ketoazepan-3-yl)piperazine-1-carboxamide Formula: C17H22N6O2 MolecularWeight: 342.39558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C17H22N6O2/c18-12-13-4-6-19-15(11-13)22-7-9-23(10-8-22)17(25)21-14-3-1-2-5-20-16(14)24/h4,6,11,14H,1-3,5,7-10H2,(H,20,24)(H,21,25)