5-(3,5-diethoxyphenyl)-1-pyridin-2-yl-1,4-diazepane

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C2CCN(CCN2)C3=CC=CC=N3)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C2CCN(CCN2)C3=CC=CC=N3)OCC

InChI

InChI=1S/C20H27N3O2/c1-3-24-17-13-16(14-18(15-17)25-4-2)19-8-11-23(12-10-21-19)20-7-5-6-9-22-20/h5-7,9,13-15,19,21H,3-4,8,10-12H2,1-2H3