N-[3-[[(3-azanyl-2,2-dimethyl-propyl)-cyclopropylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[[(3-azanyl-2,2-dimethyl-propyl)-cyclopropylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[[(3-amino-2,2-dimethyl-propyl)-(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[(3-amino-2,2-dimethylpropyl)-[cyclopropyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[[(3-amino-2,2-dimethyl-propyl)-(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-piperonylamide Formula: C24H28ClN3O4 MolecularWeight: 457.94982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CN(CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)Cl)C(=O)C4CC4

Isomeric SMILES

CC(C)(CN)CN(CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)Cl)C(=O)C4CC4

InChI

InChI=1S/C24H28ClN3O4/c1-24(2,12-26)13-28(23(30)15-3-4-15)11-17-9-18(6-7-19(17)25)27-22(29)16-5-8-20-21(10-16)32-14-31-20/h5-10,15H,3-4,11-14,26H2,1-2H3,(H,27,29)