4-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]carbonyl-2-(phenylmethylsulfanyl)quinolizine-3-carbonitrile

Systemtic Name: 4-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]carbonyl-2-(phenylmethylsulfanyl)quinolizine-3-carbonitrile Openeye Name: 1-(4-benzylpiperidine-1-carbonyl)-2-benzylsulfanyl-4-oxo-quinolizine-3-carbonitrile CAS Name: 4-oxo-1-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-2-(phenylmethylthio)-3-quinolizinecarbonitrile IUPAC Name: 1-(4-benzylpiperidine-1-carbonyl)-2-benzylsulfanyl-4-oxoquinolizine-3-carbonitrile Traditional Name: 1-(4-benzylpiperidine-1-carbonyl)-2-(benzylthio)-4-keto-quinolizine-3-carbonitrile Formula: C30H27N3O2S MolecularWeight: 493.61928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C4C=CC=CN4C(=O)C(=C3SCC5=CC=CC=C5)C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C4C=CC=CN4C(=O)C(=C3SCC5=CC=CC=C5)C#N

InChI

InChI=1S/C30H27N3O2S/c31-20-25-28(36-21-24-11-5-2-6-12-24)27(26-13-7-8-16-33(26)29(25)34)30(35)32-17-14-23(15-18-32)19-22-9-3-1-4-10-22/h1-13,16,23H,14-15,17-19,21H2