N-[(3-acetamidophenyl)methyl]-N-(3-azanyl-2,2-dimethyl-propyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(3-acetamidophenyl)methyl]-N-(3-azanyl-2,2-dimethyl-propyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(3-acetamidophenyl)methyl]-N-(3-amino-2,2-dimethyl-propyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[(3-acetamidophenyl)methyl]-N-(3-amino-2,2-dimethylpropyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(3-acetamidophenyl)methyl]-N-(3-amino-2,2-dimethylpropyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(3-acetamidobenzyl)-N-(3-amino-2,2-dimethyl-propyl)-piperonylamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)CN(CC(C)(C)CN)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)CN(CC(C)(C)CN)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H27N3O4/c1-15(26)24-18-6-4-5-16(9-18)11-25(13-22(2,3)12-23)21(27)17-7-8-19-20(10-17)29-14-28-19/h4-10H,11-14,23H2,1-3H3,(H,24,26)