N-(1,3-benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)benzoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[oxo-[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)benzoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)benzoyl]isonipecotamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)N5C=NC=N5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)N5C=NC=N5

InChI

InChI=1S/C22H21N5O4/c28-21(25-17-3-6-19-20(11-17)31-14-30-19)15-7-9-26(10-8-15)22(29)16-1-4-18(5-2-16)27-13-23-12-24-27/h1-6,11-13,15H,7-10,14H2,(H,25,28)