methyl 1-acridin-9-yl-5-(4-chloranylbutyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-acridin-9-yl-5-(4-chloranylbutyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-acridin-9-yl-5-(4-chlorobutyl)triazole-4-carboxylate CAS Name: 1-(9-acridinyl)-5-(4-chlorobutyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-acridin-9-yl-5-(4-chlorobutyl)triazole-4-carboxylate Traditional Name: 1-acridin-9-yl-5-(4-chlorobutyl)triazole-4-carboxylic acid methyl ester Formula: C21H19ClN4O2 MolecularWeight: 394.85416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)C2=C3C=CC=CC3=NC4=CC=CC=C42)CCCCCl

Isomeric SMILES

COC(=O)C1=C(N(N=N1)C2=C3C=CC=CC3=NC4=CC=CC=C42)CCCCCl

InChI

InChI=1S/C21H19ClN4O2/c1-28-21(27)19-18(12-6-7-13-22)26(25-24-19)20-14-8-2-4-10-16(14)23-17-11-5-3-9-15(17)20/h2-5,8-11H,6-7,12-13H2,1H3