3-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methylamino]azepan-2-one

Systemtic Name: 3-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methylamino]azepan-2-one Openeye Name: 3-[[3-methoxy-4-[2-(2-pyridyl)ethoxy]phenyl]methylamino]azepan-2-one CAS Name: 3-[[3-methoxy-4-[2-(2-pyridinyl)ethoxy]phenyl]methylamino]-2-azepanone IUPAC Name: 3-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methylamino]azepan-2-one Traditional Name: 3-[[3-methoxy-4-[2-(2-pyridyl)ethoxy]benzyl]amino]azepan-2-one Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2CCCCNC2=O)OCCC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2CCCCNC2=O)OCCC3=CC=CC=N3

InChI

InChI=1S/C21H27N3O3/c1-26-20-14-16(15-24-18-7-3-5-12-23-21(18)25)8-9-19(20)27-13-10-17-6-2-4-11-22-17/h2,4,6,8-9,11,14,18,24H,3,5,7,10,12-13,15H2,1H3,(H,23,25)