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

Systemtic Name: ethyl 5-[[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[3-chloro-4-(3-oxo-1-piperazinyl)anilino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[3-chloro-4-(3-ketopiperazino)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H23ClN4O4 MolecularWeight: 418.87402

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O4/c1-4-29-20(28)17-11(2)18(23-12(17)3)19(27)24-13-5-6-15(14(21)9-13)25-8-7-22-16(26)10-25/h5-6,9,23H,4,7-8,10H2,1-3H3,(H,22,26)(H,24,27)