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

Systemtic Name: 2-[3,5-bis(methoxymethyl)phenyl]-1-pyridin-2-yl-1,4-diazepane dihydrochloride Openeye Name: 2-[3,5-bis(methoxymethyl)phenyl]-1-(2-pyridyl)-1,4-diazepane dihydrochloride CAS Name: 2-[3,5-bis(methoxymethyl)phenyl]-1-(2-pyridinyl)-1,4-diazepane dihydrochloride IUPAC Name: 2-[3,5-bis(methoxymethyl)phenyl]-1-pyridin-2-yl-1,4-diazepane dihydrochloride Traditional Name: 2-[3,5-bis(methoxymethyl)phenyl]-1-(2-pyridyl)-1,4-diazepane dihydrochloride Formula: C20H29Cl2N3O2 MolecularWeight: 414.36916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2.2ClH/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;2*1H