N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-bromophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-piperonyl-isonipecotamide Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN2O4/c22-17-4-2-16(3-5-17)21(26)24-9-7-15(8-10-24)20(25)23-12-14-1-6-18-19(11-14)28-13-27-18/h1-6,11,15H,7-10,12-13H2,(H,23,25)