5-(4-methoxyphenyl)-1-pyridin-2-yl-1,4-diazepane

Systemtic Name: 5-(4-methoxyphenyl)-1-pyridin-2-yl-1,4-diazepane Openeye Name: 5-(4-methoxyphenyl)-1-(2-pyridyl)-1,4-diazepane CAS Name: 5-(4-methoxyphenyl)-1-(2-pyridinyl)-1,4-diazepane IUPAC Name: 5-(4-methoxyphenyl)-1-pyridin-2-yl-1,4-diazepane Traditional Name: 5-(4-methoxyphenyl)-1-(2-pyridyl)-1,4-diazepane Formula: C17H21N3O MolecularWeight: 283.36814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCN(CCN2)C3=CC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)C2CCN(CCN2)C3=CC=CC=N3

InChI

InChI=1S/C17H21N3O/c1-21-15-7-5-14(6-8-15)16-9-12-20(13-11-18-16)17-4-2-3-10-19-17/h2-8,10,16,18H,9,11-13H2,1H3