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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(1-methylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(1-methyl-5-benzotriazolyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(1-methylbenzotriazole-5-carbonyl)isonipecotamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)N=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)N=N1

InChI

InChI=1S/C21H21N5O4/c1-25-17-4-2-14(10-16(17)23-24-25)21(28)26-8-6-13(7-9-26)20(27)22-15-3-5-18-19(11-15)30-12-29-18/h2-5,10-11,13H,6-9,12H2,1H3,(H,22,27)