1-[2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]acetyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]-1-oxoethyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[2-[(3Z)-6-fluoro-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]acetyl]-4-phenyl-isonipecotonitrile Formula: C32H29FN2O2S MolecularWeight: 524.648263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)N4CCC(CC4)(C#N)C5=CC=CC=C5

Isomeric SMILES

CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)N4CCC(CC4)(C#N)C5=CC=CC=C5

InChI

InChI=1S/C32H29FN2O2S/c1-22-28(18-23-8-11-26(12-9-23)38(2)37)27-13-10-25(33)19-30(27)29(22)20-31(36)35-16-14-32(21-34,15-17-35)24-6-4-3-5-7-24/h3-13,18-19H,14-17,20H2,1-2H3/b28-18-