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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(1-ethylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(1-ethylbenzotriazole-5-carbonyl)isonipecotamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)N=N1

InChI

InChI=1S/C22H23N5O4/c1-2-27-18-5-3-15(11-17(18)24-25-27)22(29)26-9-7-14(8-10-26)21(28)23-16-4-6-19-20(12-16)31-13-30-19/h3-6,11-12,14H,2,7-10,13H2,1H3,(H,23,28)