N-(4-bromanyl-3-methyl-phenyl)-1-(1-ethylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-(1-ethylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-(1-ethylbenzotriazole-5-carbonyl)isonipecotamide Formula: C22H24BrN5O2 MolecularWeight: 470.36226

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Br)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Br)C)N=N1

InChI

InChI=1S/C22H24BrN5O2/c1-3-28-20-7-4-16(13-19(20)25-26-28)22(30)27-10-8-15(9-11-27)21(29)24-17-5-6-18(23)14(2)12-17/h4-7,12-13,15H,3,8-11H2,1-2H3,(H,24,29)