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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1-ethylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxamide Traditional Name: 1-(1-ethylbenzotriazole-5-carbonyl)-N-piperonyl-isonipecotamide Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NCC4=CC5=C(C=C4)OCO5)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NCC4=CC5=C(C=C4)OCO5)N=N1

InChI

InChI=1S/C23H25N5O4/c1-2-28-19-5-4-17(12-18(19)25-26-28)23(30)27-9-7-16(8-10-27)22(29)24-13-15-3-6-20-21(11-15)32-14-31-20/h3-6,11-12,16H,2,7-10,13-14H2,1H3,(H,24,29)