ethyl 1-(3-fluorophenyl)-5-[(1H-indol-2-ylmethylamino)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(3-fluorophenyl)-5-[(1H-indol-2-ylmethylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(3-fluorophenyl)-5-[(1H-indol-2-ylmethylamino)methyl]pyrazole-4-carboxylate CAS Name: 1-(3-fluorophenyl)-5-[(1H-indol-2-ylmethylamino)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-fluorophenyl)-5-[(1H-indol-2-ylmethylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-(3-fluorophenyl)-5-[(1H-indol-2-ylmethylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H21FN4O2 MolecularWeight: 392.426143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)CNCC3=CC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)CNCC3=CC4=CC=CC=C4N3

InChI

InChI=1S/C22H21FN4O2/c1-2-29-22(28)19-13-25-27(18-8-5-7-16(23)11-18)21(19)14-24-12-17-10-15-6-3-4-9-20(15)26-17/h3-11,13,24,26H,2,12,14H2,1H3