N-(3-bromophenyl)-1-(1-methylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-bromophenyl)-1-(1-methylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(3-bromophenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide CAS Name: N-(3-bromophenyl)-1-[(1-methyl-5-benzotriazolyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(3-bromophenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide Traditional Name: N-(3-bromophenyl)-1-(1-methylbenzotriazole-5-carbonyl)isonipecotamide Formula: C20H20BrN5O2 MolecularWeight: 442.3091

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)Br)N=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)Br)N=N1

InChI

InChI=1S/C20H20BrN5O2/c1-25-18-6-5-14(11-17(18)23-24-25)20(28)26-9-7-13(8-10-26)19(27)22-16-4-2-3-15(21)12-16/h2-6,11-13H,7-10H2,1H3,(H,22,27)