ethyl 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1-carboxylate

Systemtic Name: ethyl 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1-carboxylate Openeye Name: ethyl 3-[(3-chloro-4-fluoro-phenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1-carboxylate CAS Name: 3-[(3-chloro-4-fluoroanilino)-oxomethyl]-1-pyrrolo[2,1-a]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1-carboxylate Traditional Name: 3-[(3-chloro-4-fluoro-phenyl)carbamoyl]pyrrol[2,1-a]isoquinoline-1-carboxylic acid ethyl ester Formula: C22H16ClFN2O3 MolecularWeight: 410.825443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCOC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H16ClFN2O3/c1-2-29-22(28)16-12-19(21(27)25-14-7-8-18(24)17(23)11-14)26-10-9-13-5-3-4-6-15(13)20(16)26/h3-12H,2H2,1H3,(H,25,27)