ethyl 2,4-dimethyl-5-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(1-benzylpyrazol-4-yl)methyl-methyl-carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]-oxomethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1-benzylpyrazol-4-yl)methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(1-benzylpyrazol-4-yl)methyl-methyl-carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N(C)CC2=CN(N=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N(C)CC2=CN(N=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H26N4O3/c1-5-29-22(28)19-15(2)20(24-16(19)3)21(27)25(4)12-18-11-23-26(14-18)13-17-9-7-6-8-10-17/h6-11,14,24H,5,12-13H2,1-4H3