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

Systemtic Name: N-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-oxo-2-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-keto-2-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]ethyl]-piperonylamide Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O4/c1-17-3-5-18(6-4-17)15-25-9-2-10-26(12-11-25)22(27)14-24-23(28)19-7-8-20-21(13-19)30-16-29-20/h3-8,13H,2,9-12,14-16H2,1H3,(H,24,28)