N-[2-chloranyl-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-chloranyl-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-chloro-5-(1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-chloro-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-chloro-5-(1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-chloro-5-(1,4-diazepane-1-carbonyl)phenyl]-piperonylamide Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20ClN3O4/c21-15-4-2-14(20(26)24-8-1-6-22-7-9-24)10-16(15)23-19(25)13-3-5-17-18(11-13)28-12-27-17/h2-5,10-11,22H,1,6-9,12H2,(H,23,25)