N-(4-azanylcyclohexyl)-N-[[3-[(2-bromophenyl)carbonylamino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-[(2-bromophenyl)carbonylamino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[(2-bromobenzoyl)amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[[(2-bromophenyl)-oxomethyl]amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[(2-bromobenzoyl)amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[(2-bromobenzoyl)amino]benzyl]-piperonylamide Formula: C28H28BrN3O4 MolecularWeight: 550.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H28BrN3O4/c29-24-7-2-1-6-23(24)27(33)31-21-5-3-4-18(14-21)16-32(22-11-9-20(30)10-12-22)28(34)19-8-13-25-26(15-19)36-17-35-25/h1-8,13-15,20,22H,9-12,16-17,30H2,(H,31,33)