3-[(4-bromophenyl)methylideneamino]-5-(2-pyridin-3-ylpiperidin-1-yl)carbonyl-2H-1,2,3-triazol-4-one

Systemtic Name: 3-[(4-bromophenyl)methylideneamino]-5-(2-pyridin-3-ylpiperidin-1-yl)carbonyl-2H-1,2,3-triazol-4-one Openeye Name: 3-[(4-bromophenyl)methyleneamino]-5-[2-(3-pyridyl)piperidine-1-carbonyl]-2H-triazol-4-one CAS Name: 3-[(4-bromophenyl)methylideneamino]-5-[oxo-[2-(3-pyridinyl)-1-piperidinyl]methyl]-2H-triazol-4-one IUPAC Name: 3-[(4-bromophenyl)methylideneamino]-5-(2-pyridin-3-ylpiperidine-1-carbonyl)-2H-triazol-4-one Traditional Name: 3-[(4-bromobenzylidene)amino]-5-[2-(3-pyridyl)piperidine-1-carbonyl]-2H-triazol-4-one Formula: C20H19BrN6O2 MolecularWeight: 455.30786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)C(=O)C3=NNN(C3=O)N=CC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)C(=O)C3=NNN(C3=O)N=CC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H19BrN6O2/c21-16-8-6-14(7-9-16)12-23-27-20(29)18(24-25-27)19(28)26-11-2-1-5-17(26)15-4-3-10-22-13-15/h3-4,6-10,12-13,17,25H,1-2,5,11H2