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

Systemtic Name: N-(4-methoxyphenyl)-1-(1-methylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(4-methoxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide CAS Name: N-(4-methoxyphenyl)-1-[(1-methyl-5-benzotriazolyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(4-methoxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide Traditional Name: N-(4-methoxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)isonipecotamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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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)N=N1

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-25-19-8-3-15(13-18(19)23-24-25)21(28)26-11-9-14(10-12-26)20(27)22-16-4-6-17(29-2)7-5-16/h3-8,13-14H,9-12H2,1-2H3,(H,22,27)