3-(pyridin-4-ylmethylamino)azepan-2-one

Systemtic Name: 3-(pyridin-4-ylmethylamino)azepan-2-one Openeye Name: 3-(4-pyridylmethylamino)azepan-2-one CAS Name: 3-(pyridin-4-ylmethylamino)-2-azepanone IUPAC Name: 3-(pyridin-4-ylmethylamino)azepan-2-one Traditional Name: 3-(4-pyridylmethylamino)azepan-2-one Formula: C12H17N3O MolecularWeight: 219.28288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC=NC=C2

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC=NC=C2

InChI

InChI=1S/C12H17N3O/c16-12-11(3-1-2-6-14-12)15-9-10-4-7-13-8-5-10/h4-5,7-8,11,15H,1-3,6,9H2,(H,14,16)