4-oxidanylidene-2-(phenylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)carbonyl-quinolizine-3-carbonitrile

Systemtic Name: 4-oxidanylidene-2-(phenylmethylsulfanyl)-1-(4-phenylpiperidin-1-yl)carbonyl-quinolizine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4-oxo-1-(4-phenylpiperidine-1-carbonyl)quinolizine-3-carbonitrile CAS Name: 4-oxo-1-[oxo-(4-phenyl-1-piperidinyl)methyl]-2-(phenylmethylthio)-3-quinolizinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-oxo-1-(4-phenylpiperidine-1-carbonyl)quinolizine-3-carbonitrile Traditional Name: 2-(benzylthio)-4-keto-1-(4-phenylpiperidine-1-carbonyl)quinolizine-3-carbonitrile Formula: C29H25N3O2S MolecularWeight: 479.5927

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C(=O)C3=C4C=CC=CN4C(=O)C(=C3SCC5=CC=CC=C5)C#N

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C(=O)C3=C4C=CC=CN4C(=O)C(=C3SCC5=CC=CC=C5)C#N

InChI

InChI=1S/C29H25N3O2S/c30-19-24-27(35-20-21-9-3-1-4-10-21)26(25-13-7-8-16-32(25)28(24)33)29(34)31-17-14-23(15-18-31)22-11-5-2-6-12-22/h1-13,16,23H,14-15,17-18,20H2