methyl 5-fluoranyl-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-fluoranyl-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-fluoro-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-fluoro-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[3-(4-phenylpiperazino)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H25FN4O3 MolecularWeight: 424.468003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25FN4O3/c1-31-23(30)22-21(18-15-16(24)7-8-19(18)25-22)26-20(29)9-10-27-11-13-28(14-12-27)17-5-3-2-4-6-17/h2-8,15,25H,9-14H2,1H3,(H,26,29)