1-(3-bromophenyl)-N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(3-bromophenyl)-N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-bromophenyl)-N-[2-(2-furyl)-2-(1-piperidyl)ethyl]triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-[2-(2-furanyl)-2-(1-piperidinyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]triazole-4-carboxamide Traditional Name: 1-(3-bromophenyl)-N-[2-(2-furyl)-2-piperidino-ethyl]triazole-4-carboxamide Formula: C20H22BrN5O2 MolecularWeight: 444.32498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CNC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br)C4=CC=CO4

Isomeric SMILES

C1CCN(CC1)C(CNC(=O)C2=CN(N=N2)C3=CC(=CC=C3)Br)C4=CC=CO4

InChI

InChI=1S/C20H22BrN5O2/c21-15-6-4-7-16(12-15)26-14-17(23-24-26)20(27)22-13-18(19-8-5-11-28-19)25-9-2-1-3-10-25/h4-8,11-12,14,18H,1-3,9-10,13H2,(H,22,27)