methyl 2-[[5-(4-aminocarbonylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[5-(4-aminocarbonylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[5-(4-carbamoylphenyl)tetrazol-2-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[5-(4-carbamoylphenyl)-2-tetrazolyl]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(4-carbamoylphenyl)tetrazol-2-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[5-(4-carbamoylphenyl)tetrazol-2-yl]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3N=C(N=N3)C4=CC=C(C=C4)C(=O)N)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3N=C(N=N3)C4=CC=C(C=C4)C(=O)N)C(=O)OC

InChI

InChI=1S/C21H18N6O3/c1-12-15-5-3-4-6-16(15)23-17(18(12)21(29)30-2)11-27-25-20(24-26-27)14-9-7-13(8-10-14)19(22)28/h3-10H,11H2,1-2H3,(H2,22,28)