ethyl 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]amino]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

InChI

InChI=1S/C21H25N5O4/c1-6-30-20(28)16-12(2)18(22-13(16)3)24-21(29)23-17-14(4)25(5)26(19(17)27)15-10-8-7-9-11-15/h7-11,22H,6H2,1-5H3,(H2,23,24,29)