N-[(4-bromophenyl)methyl]-1-(1-methylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-bromophenyl)methyl]-1-(1-methylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(4-bromophenyl)methyl]-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide CAS Name: N-[(4-bromophenyl)methyl]-1-[(1-methyl-5-benzotriazolyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-bromophenyl)methyl]-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide Traditional Name: N-(4-bromobenzyl)-1-(1-methylbenzotriazole-5-carbonyl)isonipecotamide Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)Br)N=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)Br)N=N1

InChI

InChI=1S/C21H22BrN5O2/c1-26-19-7-4-16(12-18(19)24-25-26)21(29)27-10-8-15(9-11-27)20(28)23-13-14-2-5-17(22)6-3-14/h2-7,12,15H,8-11,13H2,1H3,(H,23,28)