N-[6-(4-propanoyl-1,4-diazepan-1-yl)pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[6-(4-propanoyl-1,4-diazepan-1-yl)pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-(1-oxopropyl)-1,4-diazepan-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-(4-propanoyl-1,4-diazepan-1-yl)pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-(4-propionyl-1,4-diazepan-1-yl)-3-pyridyl]-piperonylamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(=O)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O4/c1-2-20(26)25-9-3-8-24(10-11-25)19-7-5-16(13-22-19)23-21(27)15-4-6-17-18(12-15)29-14-28-17/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,23,27)