[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(5-fluorobenzotriazol-1-yl)-1-piperidyl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(5-fluoro-1-benzotriazolyl)-1-piperidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(5-fluorobenzotriazol-1-yl)piperidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C21H23FN4O4 MolecularWeight: 414.430123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3

InChI

InChI=1S/C21H23FN4O4/c1-28-18-10-13(11-19(29-2)20(18)30-3)21(27)25-8-6-15(7-9-25)26-17-5-4-14(22)12-16(17)23-24-26/h4-5,10-12,15H,6-9H2,1-3H3