2-[2-(4-fluoranylthiophen-3-yl)-4-(phenylcarbonyl)-1-piperazin-1-yl-indol-3-yl]-2-oxidanylidene-ethanal

Systemtic Name: 2-[2-(4-fluoranylthiophen-3-yl)-4-(phenylcarbonyl)-1-piperazin-1-yl-indol-3-yl]-2-oxidanylidene-ethanal Openeye Name: 2-[4-benzoyl-2-(4-fluoro-3-thienyl)-1-piperazin-1-yl-indol-3-yl]-2-oxo-acetaldehyde CAS Name: 2-[4-benzoyl-2-(4-fluoro-3-thiophenyl)-1-(1-piperazinyl)-3-indolyl]-2-oxoacetaldehyde IUPAC Name: 2-[4-benzoyl-2-(4-fluorothiophen-3-yl)-1-piperazin-1-ylindol-3-yl]-2-oxoacetaldehyde Traditional Name: 2-[4-benzoyl-2-(4-fluoro-3-thienyl)-1-piperazino-indol-3-yl]-2-keto-acetaldehyde Formula: C25H20FN3O3S MolecularWeight: 461.508003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)N2C3=CC=CC(=C3C(=C2C4=CSC=C4F)C(=O)C=O)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)N2C3=CC=CC(=C3C(=C2C4=CSC=C4F)C(=O)C=O)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H20FN3O3S/c26-19-15-33-14-18(19)24-23(21(31)13-30)22-17(25(32)16-5-2-1-3-6-16)7-4-8-20(22)29(24)28-11-9-27-10-12-28/h1-8,13-15,27H,9-12H2