methyl 2-ethyl-4-methyl-5-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[oxo-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-4-methyl-5-[[2-(1,2,4-triazol-1-ylmethyl)benzyl]carbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NCC2=CC=CC=C2CN3C=NC=N3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NCC2=CC=CC=C2CN3C=NC=N3)C)C(=O)OC

InChI

InChI=1S/C20H23N5O3/c1-4-16-17(20(27)28-3)13(2)18(24-16)19(26)22-9-14-7-5-6-8-15(14)10-25-12-21-11-23-25/h5-8,11-12,24H,4,9-10H2,1-3H3,(H,22,26)