N-(3-chloranyl-4-methoxy-phenyl)-1-(1-methylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1-(1-methylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-1-[(1-methyl-5-benzotriazolyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-1-(1-methylbenzotriazole-5-carbonyl)isonipecotamide Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O3/c1-26-18-5-3-14(11-17(18)24-25-26)21(29)27-9-7-13(8-10-27)20(28)23-15-4-6-19(30-2)16(22)12-15/h3-6,11-13H,7-10H2,1-2H3,(H,23,28)