diethyl 3-(4-pyrrol-1-ylbutyl)-1,2,4-triazine-5,6-dicarboxylate

Systemtic Name: diethyl 3-(4-pyrrol-1-ylbutyl)-1,2,4-triazine-5,6-dicarboxylate Openeye Name: diethyl 3-(4-pyrrol-1-ylbutyl)-1,2,4-triazine-5,6-dicarboxylate CAS Name: 3-[4-(1-pyrrolyl)butyl]-1,2,4-triazine-5,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-(4-pyrrol-1-ylbutyl)-1,2,4-triazine-5,6-dicarboxylate Traditional Name: 3-(4-pyrrol-1-ylbutyl)-1,2,4-triazine-5,6-dicarboxylic acid diethyl ester Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=NC(=N1)CCCCN2C=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N=NC(=N1)CCCCN2C=CC=C2)C(=O)OCC

InChI

InChI=1S/C17H22N4O4/c1-3-24-16(22)14-15(17(23)25-4-2)20-19-13(18-14)9-5-6-10-21-11-7-8-12-21/h7-8,11-12H,3-6,9-10H2,1-2H3