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

Systemtic Name: N-[3-[[(3-azanyl-2,2-dimethyl-propyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[[(3-amino-2,2-dimethyl-propyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[(3-amino-2,2-dimethylpropyl)-[cyclohexyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[[(3-amino-2,2-dimethyl-propyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]-piperonylamide Formula: C27H34ClN3O4 MolecularWeight: 500.02956

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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)C4CCCCC4

Isomeric SMILES

CC(C)(CN)CN(CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)Cl)C(=O)C4CCCCC4

InChI

InChI=1S/C27H34ClN3O4/c1-27(2,15-29)16-31(26(33)18-6-4-3-5-7-18)14-20-12-21(9-10-22(20)28)30-25(32)19-8-11-23-24(13-19)35-17-34-23/h8-13,18H,3-7,14-17,29H2,1-2H3,(H,30,32)