(2S)-2-(4-fluorophenyl)-2-[4-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonylpiperazin-1-yl]ethanenitrile

Systemtic Name: (2S)-2-(4-fluorophenyl)-2-[4-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonylpiperazin-1-yl]ethanenitrile Openeye Name: (2S)-2-(4-fluorophenyl)-2-[4-(3-methyl-4-oxo-2-phenyl-chromene-8-carbonyl)piperazin-1-yl]acetonitrile CAS Name: (2S)-2-(4-fluorophenyl)-2-[4-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)-oxomethyl]-1-piperazinyl]acetonitrile IUPAC Name: (2S)-2-(4-fluorophenyl)-2-[4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperazin-1-yl]acetonitrile Traditional Name: (2S)-2-(4-fluorophenyl)-2-[4-(4-keto-3-methyl-2-phenyl-chromene-8-carbonyl)piperazino]acetonitrile Formula: C29H24FN3O3 MolecularWeight: 481.517563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)C(C#N)C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)[C@H](C#N)C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C29H24FN3O3/c1-19-26(34)23-8-5-9-24(28(23)36-27(19)21-6-3-2-4-7-21)29(35)33-16-14-32(15-17-33)25(18-31)20-10-12-22(30)13-11-20/h2-13,25H,14-17H2,1H3/t25-/m1/s1