2-dimethylaminoethyl (5E)-2,4-dimethyl-5-[(3-oxidanylidene-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate

Systemtic Name: 2-dimethylaminoethyl (5E)-2,4-dimethyl-5-[(3-oxidanylidene-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate Openeye Name: 2-dimethylaminoethyl (5E)-2,4-dimethyl-5-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylene]pyrrole-3-carboxylate CAS Name: (5E)-2,4-dimethyl-5-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]-3-pyrrolecarboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl (5E)-2,4-dimethyl-5-[(3-oxo-5-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate Traditional Name: (5E)-5-[(3-keto-5-phenethyl-3-pyrazolin-4-yl)methylene]-2,4-dimethyl-pyrrole-3-carboxylic acid 2-dimethylaminoethyl ester Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1=CC2=C(NNC2=O)CCC3=CC=CC=C3)C)C(=O)OCCN(C)C

Isomeric SMILES

CC\1=C(C(=N/C1=C/C2=C(NNC2=O)CCC3=CC=CC=C3)C)C(=O)OCCN(C)C

InChI

InChI=1S/C23H28N4O3/c1-15-20(24-16(2)21(15)23(29)30-13-12-27(3)4)14-18-19(25-26-22(18)28)11-10-17-8-6-5-7-9-17/h5-9,14H,10-13H2,1-4H3,(H2,25,26,28)/b20-14+