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

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 2,4-dimethyl-5-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,4-dimethyl-5-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[2-(1,2,4-triazol-1-ylmethyl)benzyl]carbamoyl]-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCC2=CC=CC=C2CN3C=NC=N3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCC2=CC=CC=C2CN3C=NC=N3

InChI

InChI=1S/C21H25N5O3/c1-13(2)29-21(28)18-14(3)19(25-15(18)4)20(27)23-9-16-7-5-6-8-17(16)10-26-12-22-11-24-26/h5-8,11-13,25H,9-10H2,1-4H3,(H,23,27)