3-[(1-pyridin-2-ylpiperidin-4-yl)amino]azepan-2-one

Systemtic Name: 3-[(1-pyridin-2-ylpiperidin-4-yl)amino]azepan-2-one Openeye Name: 3-[[1-(2-pyridyl)-4-piperidyl]amino]azepan-2-one CAS Name: 3-[[1-(2-pyridinyl)-4-piperidinyl]amino]-2-azepanone IUPAC Name: 3-[(1-pyridin-2-ylpiperidin-4-yl)amino]azepan-2-one Traditional Name: 3-[[1-(2-pyridyl)-4-piperidyl]amino]azepan-2-one Formula: C16H24N4O MolecularWeight: 288.38796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C1CCNC(=O)C(C1)NC2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C16H24N4O/c21-16-14(5-1-3-10-18-16)19-13-7-11-20(12-8-13)15-6-2-4-9-17-15/h2,4,6,9,13-14,19H,1,3,5,7-8,10-12H2,(H,18,21)