1-(furan-2-ylcarbonyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(furan-2-ylcarbonyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(furan-2-carbonyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-[2-furanyl(oxo)methyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(furan-2-carbonyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(2-furoyl)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]isonipecotamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H23N5O3/c27-20(18-7-9-25(10-8-18)21(28)19-2-1-11-29-19)23-12-16-3-5-17(6-4-16)13-26-15-22-14-24-26/h1-6,11,14-15,18H,7-10,12-13H2,(H,23,27)