ethyl 5-[2-[(4-fluoranyl-3-methyl-phenyl)methylcarbamoyl]pyridin-4-yl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-[2-[(4-fluoranyl-3-methyl-phenyl)methylcarbamoyl]pyridin-4-yl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-[2-[(4-fluoro-3-methyl-phenyl)methylcarbamoyl]-4-pyridyl]-1H-indole-2-carboxylate CAS Name: 5-[2-[[(4-fluoro-3-methylphenyl)methylamino]-oxomethyl]-4-pyridinyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyridin-4-yl]-1H-indole-2-carboxylate Traditional Name: 5-[2-[(4-fluoro-3-methyl-benzyl)carbamoyl]-4-pyridyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C25H22FN3O3 MolecularWeight: 431.458883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C3=CC(=NC=C3)C(=O)NCC4=CC(=C(C=C4)F)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C3=CC(=NC=C3)C(=O)NCC4=CC(=C(C=C4)F)C

InChI

InChI=1S/C25H22FN3O3/c1-3-32-25(31)23-13-19-11-17(5-7-21(19)29-23)18-8-9-27-22(12-18)24(30)28-14-16-4-6-20(26)15(2)10-16/h4-13,29H,3,14H2,1-2H3,(H,28,30)