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

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-N-[(5-benzamido-2-chloranyl-phenyl)methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-N-[(5-benzamido-2-chloro-phenyl)methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-N-[(5-benzamido-2-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-N-[(5-benzamido-2-chlorophenyl)methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-N-(5-benzamido-2-chloro-benzyl)-piperonylamide Formula: C27H28ClN3O4 MolecularWeight: 493.98192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CN(CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2)Cl)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(CN)CN(CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2)Cl)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H28ClN3O4/c1-27(2,15-29)16-31(26(33)19-8-11-23-24(13-19)35-17-34-23)14-20-12-21(9-10-22(20)28)30-25(32)18-6-4-3-5-7-18/h3-13H,14-17,29H2,1-2H3,(H,30,32)