N-(3-fluoranyl-4-methyl-phenyl)-1-(1-methylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-1-(1-methylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-1-[(1-methyl-5-benzotriazolyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-1-(1-methylbenzotriazole-5-carbonyl)isonipecotamide Formula: C21H22FN5O2 MolecularWeight: 395.430083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN5O2/c1-13-3-5-16(12-17(13)22)23-20(28)14-7-9-27(10-8-14)21(29)15-4-6-19-18(11-15)24-25-26(19)2/h3-6,11-12,14H,7-10H2,1-2H3,(H,23,28)