N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-9H-xanthene-9-carboxamide CAS Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-9H-xanthene-9-carboxamide Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C23H18N4O3/c1-29-15-12-10-14(11-13-15)21-24-23(27-26-21)25-22(28)20-16-6-2-4-8-18(16)30-19-9-5-3-7-17(19)20/h2-13,20H,1H3,(H2,24,25,26,27,28)