[4-(4-methylpiperazin-1-yl)-1-benzothiophen-2-yl]methyl 4-(4-fluorophenyl)carbonylpiperidine-1-carboxylate

Systemtic Name: [4-(4-methylpiperazin-1-yl)-1-benzothiophen-2-yl]methyl 4-(4-fluorophenyl)carbonylpiperidine-1-carboxylate Openeye Name: [4-(4-methylpiperazin-1-yl)benzothiophen-2-yl]methyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate CAS Name: 4-[(4-fluorophenyl)-oxomethyl]-1-piperidinecarboxylic acid [4-(4-methyl-1-piperazinyl)-1-benzothiophen-2-yl]methyl ester IUPAC Name: [4-(4-methylpiperazin-1-yl)-1-benzothiophen-2-yl]methyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate Traditional Name: 4-(4-fluorobenzoyl)piperidine-1-carboxylic acid [4-(4-methylpiperazino)benzothiophen-2-yl]methyl ester Formula: C27H30FN3O3S MolecularWeight: 495.608803

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C=C(SC3=CC=C2)COC(=O)N4CCC(CC4)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CN1CCN(CC1)C2=C3C=C(SC3=CC=C2)COC(=O)N4CCC(CC4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H30FN3O3S/c1-29-13-15-30(16-14-29)24-3-2-4-25-23(24)17-22(35-25)18-34-27(33)31-11-9-20(10-12-31)26(32)19-5-7-21(28)8-6-19/h2-8,17,20H,9-16,18H2,1H3