ethyl 6-chloranyl-3-oxidanylidene-7-[3-[(propan-2-ylcarbamoylamino)methyl]pyrrol-1-yl]-4H-quinoxaline-2-carboxylate

Systemtic Name: ethyl 6-chloranyl-3-oxidanylidene-7-[3-[(propan-2-ylcarbamoylamino)methyl]pyrrol-1-yl]-4H-quinoxaline-2-carboxylate Openeye Name: ethyl 6-chloro-7-[3-[(isopropylcarbamoylamino)methyl]pyrrol-1-yl]-3-oxo-4H-quinoxaline-2-carboxylate CAS Name: 6-chloro-3-oxo-7-[3-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]-1-pyrrolyl]-4H-quinoxaline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-3-oxo-7-[3-[(propan-2-ylcarbamoylamino)methyl]pyrrol-1-yl]-4H-quinoxaline-2-carboxylate Traditional Name: 6-chloro-7-[3-[(isopropylcarbamoylamino)methyl]pyrrol-1-yl]-3-keto-4H-quinoxaline-2-carboxylic acid ethyl ester Formula: C20H22ClN5O4 MolecularWeight: 431.87278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC(=C(C=C2NC1=O)Cl)N3C=CC(=C3)CNC(=O)NC(C)C

Isomeric SMILES

CCOC(=O)C1=NC2=CC(=C(C=C2NC1=O)Cl)N3C=CC(=C3)CNC(=O)NC(C)C

InChI

InChI=1S/C20H22ClN5O4/c1-4-30-19(28)17-18(27)25-14-7-13(21)16(8-15(14)24-17)26-6-5-12(10-26)9-22-20(29)23-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,25,27)(H2,22,23,29)