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

Systemtic Name: diethyl 3-(4-indol-1-ylbutyl)-1,2,4-triazine-5,6-dicarboxylate Openeye Name: diethyl 3-(4-indol-1-ylbutyl)-1,2,4-triazine-5,6-dicarboxylate CAS Name: 3-[4-(1-indolyl)butyl]-1,2,4-triazine-5,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-(4-indol-1-ylbutyl)-1,2,4-triazine-5,6-dicarboxylate Traditional Name: 3-(4-indol-1-ylbutyl)-1,2,4-triazine-5,6-dicarboxylic acid diethyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=NC(=N1)CCCCN2C=CC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N=NC(=N1)CCCCN2C=CC3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C21H24N4O4/c1-3-28-20(26)18-19(21(27)29-4-2)24-23-17(22-18)11-7-8-13-25-14-12-15-9-5-6-10-16(15)25/h5-6,9-10,12,14H,3-4,7-8,11,13H2,1-2H3