1-methyl-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azepane-2-carboxamide

Systemtic Name: 1-methyl-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azepane-2-carboxamide Openeye Name: 1-methyl-N-[[2-[4-(2-pyridyl)piperazin-1-yl]-3-pyridyl]methyl]azepane-2-carboxamide CAS Name: 1-methyl-N-[[2-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinyl]methyl]-2-azepanecarboxamide IUPAC Name: 1-methyl-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azepane-2-carboxamide Traditional Name: 1-methyl-N-[[2-[4-(2-pyridyl)piperazino]-3-pyridyl]methyl]azepane-2-carboxamide Formula: C23H32N6O MolecularWeight: 408.53978

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCCC1C(=O)NCC2=C(N=CC=C2)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CN1CCCCCC1C(=O)NCC2=C(N=CC=C2)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H32N6O/c1-27-13-6-2-3-9-20(27)23(30)26-18-19-8-7-12-25-22(19)29-16-14-28(15-17-29)21-10-4-5-11-24-21/h4-5,7-8,10-12,20H,2-3,6,9,13-18H2,1H3,(H,26,30)