ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H30FN3O3 MolecularWeight: 451.533103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCN(CC3)C(=O)OCC)C4=CC(=CC=C4)F

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCN(CC3)C(=O)OCC)C4=CC(=CC=C4)F

InChI

InChI=1S/C26H30FN3O3/c1-3-18-7-6-10-21-23(17-28-25(18)21)22(19-8-5-9-20(27)15-19)16-24(31)29-11-13-30(14-12-29)26(32)33-4-2/h5-10,15,17,22,28H,3-4,11-14,16H2,1-2H3