propan-2-yl 2,4-dimethyl-5-[3-(1,2,4-triazol-1-yl)propylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[3-(1,2,4-triazol-1-yl)propylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 2,4-dimethyl-5-[3-(1,2,4-triazol-1-yl)propylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[3-(1,2,4-triazol-1-yl)propylamino]methyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,4-dimethyl-5-[3-(1,2,4-triazol-1-yl)propylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[3-(1,2,4-triazol-1-yl)propylcarbamoyl]-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C16H23N5O3 MolecularWeight: 333.38552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCCCN2C=NC=N2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCCCN2C=NC=N2

InChI

InChI=1S/C16H23N5O3/c1-10(2)24-16(23)13-11(3)14(20-12(13)4)15(22)18-6-5-7-21-9-17-8-19-21/h8-10,20H,5-7H2,1-4H3,(H,18,22)