ethyl 4-ethyl-2-[[(4-methoxyphenyl)amino]methyl]-5-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-ethyl-2-[[(4-methoxyphenyl)amino]methyl]-5-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-ethyl-2-[(4-methoxyanilino)methyl]-5-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate CAS Name: 4-ethyl-2-[(4-methoxyanilino)methyl]-5-[oxo-(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-2-[(4-methoxyanilino)methyl]-5-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-ethyl-2-(p-anisidinomethyl)-5-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OCC)CNC2=CC=C(C=C2)OC)C(=O)NCC3=NC=NN3

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OCC)CNC2=CC=C(C=C2)OC)C(=O)NCC3=NC=NN3

InChI

InChI=1S/C21H26N6O4/c1-4-15-18(21(29)31-5-2)16(10-22-13-6-8-14(30-3)9-7-13)26-19(15)20(28)23-11-17-24-12-25-27-17/h6-9,12,22,26H,4-5,10-11H2,1-3H3,(H,23,28)(H,24,25,27)