1-[5-(7-methoxy-1,3-benzodioxol-5-yl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-[5-(7-methoxy-1,3-benzodioxol-5-yl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2-pyridyl]-1,4-diazepane CAS Name: 1-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-[5-(7-methoxy-1,3-benzodioxol-5-yl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2-pyridyl]-1,4-diazepane Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C3=CN=C(C=C3)N4CCCNCC4

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C3=CN=C(C=C3)N4CCCNCC4

InChI

InChI=1S/C18H21N3O3/c1-22-15-9-14(10-16-18(15)24-12-23-16)13-3-4-17(20-11-13)21-7-2-5-19-6-8-21/h3-4,9-11,19H,2,5-8,12H2,1H3