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

Systemtic Name: N-[4-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-piperonylamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCNCC2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCNCC2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O4/c1-14-11-16(21(26)24-9-2-7-22-8-10-24)3-5-17(14)23-20(25)15-4-6-18-19(12-15)28-13-27-18/h3-6,11-12,22H,2,7-10,13H2,1H3,(H,23,25)