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

Systemtic Name: diethyl 3-(3-indol-1-ylpropyl)-1,2,4-triazine-5,6-dicarboxylate Openeye Name: diethyl 3-(3-indol-1-ylpropyl)-1,2,4-triazine-5,6-dicarboxylate CAS Name: 3-[3-(1-indolyl)propyl]-1,2,4-triazine-5,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-(3-indol-1-ylpropyl)-1,2,4-triazine-5,6-dicarboxylate Traditional Name: 3-(3-indol-1-ylpropyl)-1,2,4-triazine-5,6-dicarboxylic acid diethyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=NC(=N1)CCCN2C=CC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N=NC(=N1)CCCN2C=CC3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C20H22N4O4/c1-3-27-19(25)17-18(20(26)28-4-2)23-22-16(21-17)10-7-12-24-13-11-14-8-5-6-9-15(14)24/h5-6,8-9,11,13H,3-4,7,10,12H2,1-2H3