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

Systemtic Name: N-[2-[[(3-azanyl-2,2-dimethyl-propyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[(3-amino-2,2-dimethyl-propyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[(3-amino-2,2-dimethylpropyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[(3-amino-2,2-dimethyl-propyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-piperonylamide Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CN(CC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4CCCCC4

Isomeric SMILES

CC(C)(CN)CN(CC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4CCCCC4

InChI

InChI=1S/C27H35N3O4/c1-27(2,16-28)17-30(26(32)19-8-4-3-5-9-19)15-21-10-6-7-11-22(21)29-25(31)20-12-13-23-24(14-20)34-18-33-23/h6-7,10-14,19H,3-5,8-9,15-18,28H2,1-2H3,(H,29,31)