N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1,4-diazepan-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1,4-diazepan-1-yl)pyridine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1,4-diazepan-1-yl)pyridine-3-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1,4-diazepan-1-yl)-3-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1,4-diazepan-1-yl)pyridine-3-carboxamide Traditional Name: 2-(1,4-diazepan-1-yl)-N-homopiperonyl-nicotinamide Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=CC=N2)C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CNCCN(C1)C2=C(C=CC=N2)C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N4O3/c25-20(23-9-6-15-4-5-17-18(13-15)27-14-26-17)16-3-1-8-22-19(16)24-11-2-7-21-10-12-24/h1,3-5,8,13,21H,2,6-7,9-12,14H2,(H,23,25)