1-[2,6-dimethoxy-4-(1-pyridin-2-yl-1,4-diazepan-5-yl)phenyl]ethanone

Systemtic Name: 1-[2,6-dimethoxy-4-(1-pyridin-2-yl-1,4-diazepan-5-yl)phenyl]ethanone Openeye Name: 1-[2,6-dimethoxy-4-[1-(2-pyridyl)-1,4-diazepan-5-yl]phenyl]ethanone CAS Name: 1-[2,6-dimethoxy-4-[1-(2-pyridinyl)-1,4-diazepan-5-yl]phenyl]ethanone IUPAC Name: 1-[2,6-dimethoxy-4-(1-pyridin-2-yl-1,4-diazepan-5-yl)phenyl]ethanone Traditional Name: 1-[2,6-dimethoxy-4-[1-(2-pyridyl)-1,4-diazepan-5-yl]phenyl]ethanone Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1OC)C2CCN(CCN2)C3=CC=CC=N3)OC

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1OC)C2CCN(CCN2)C3=CC=CC=N3)OC

InChI

InChI=1S/C20H25N3O3/c1-14(24)20-17(25-2)12-15(13-18(20)26-3)16-7-10-23(11-9-21-16)19-6-4-5-8-22-19/h4-6,8,12-13,16,21H,7,9-11H2,1-3H3