2-[3,5-bis(methoxymethyl)phenyl]-1-pyridin-2-yl-1,4-diazepane

Systemtic Name: 2-[3,5-bis(methoxymethyl)phenyl]-1-pyridin-2-yl-1,4-diazepane Openeye Name: 2-[3,5-bis(methoxymethyl)phenyl]-1-(2-pyridyl)-1,4-diazepane CAS Name: 2-[3,5-bis(methoxymethyl)phenyl]-1-(2-pyridinyl)-1,4-diazepane IUPAC Name: 2-[3,5-bis(methoxymethyl)phenyl]-1-pyridin-2-yl-1,4-diazepane Traditional Name: 2-[3,5-bis(methoxymethyl)phenyl]-1-(2-pyridyl)-1,4-diazepane Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=CC(=C1)C2CNCCCN2C3=CC=CC=N3)COC

Isomeric SMILES

COCC1=CC(=CC(=C1)C2CNCCCN2C3=CC=CC=N3)COC

InChI

InChI=1S/C20H27N3O2/c1-24-14-16-10-17(15-25-2)12-18(11-16)19-13-21-7-5-9-23(19)20-6-3-4-8-22-20/h3-4,6,8,10-12,19,21H,5,7,9,13-15H2,1-2H3