1-(4-bromophenyl)carbonyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]isonipecotamide Formula: C21H27BrN4O2 MolecularWeight: 447.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H27BrN4O2/c1-15-14-16(2)26(24-15)11-3-10-23-20(27)17-8-12-25(13-9-17)21(28)18-4-6-19(22)7-5-18/h4-7,14,17H,3,8-13H2,1-2H3,(H,23,27)