ethyl 2,4-dimethyl-5-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-(3-oxo-1-piperazinyl)anilino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[[4-(3-ketopiperazino)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3)C

InChI

InChI=1S/C20H24N4O4/c1-4-28-20(27)17-12(2)18(22-13(17)3)19(26)23-14-5-7-15(8-6-14)24-10-9-21-16(25)11-24/h5-8,22H,4,9-11H2,1-3H3,(H,21,25)(H,23,26)