N-[2-[2-(1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[2-(1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[2-(1,4-diazepan-1-yl)-2-oxo-ethyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[2-(1,4-diazepan-1-yl)-2-keto-ethyl]phenyl]-piperonylamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)CC2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CNCCN(C1)C(=O)CC2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O4/c25-20(24-10-3-8-22-9-11-24)13-15-4-1-2-5-17(15)23-21(26)16-6-7-18-19(12-16)28-14-27-18/h1-2,4-7,12,22H,3,8-11,13-14H2,(H,23,26)