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

Systemtic Name: 3-[(1-pyridin-4-ylpiperidin-4-yl)amino]azepan-2-one Openeye Name: 3-[[1-(4-pyridyl)-4-piperidyl]amino]azepan-2-one CAS Name: 3-[(1-pyridin-4-yl-4-piperidinyl)amino]-2-azepanone IUPAC Name: 3-[(1-pyridin-4-ylpiperidin-4-yl)amino]azepan-2-one Traditional Name: 3-[[1-(4-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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O/c21-16-15(3-1-2-8-18-16)19-13-6-11-20(12-7-13)14-4-9-17-10-5-14/h4-5,9-10,13,15,19H,1-3,6-8,11-12H2,(H,18,21)