N-(2,3-dimethylphenyl)-1-(1-methylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(2,3-dimethylphenyl)-1-(1-methylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide CAS Name: N-(2,3-dimethylphenyl)-1-[(1-methyl-5-benzotriazolyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)isonipecotamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)N(N=N4)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)N(N=N4)C)C

InChI

InChI=1S/C22H25N5O2/c1-14-5-4-6-18(15(14)2)23-21(28)16-9-11-27(12-10-16)22(29)17-7-8-20-19(13-17)24-25-26(20)3/h4-8,13,16H,9-12H2,1-3H3,(H,23,28)