1-[4-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]carbonyl-2-methylsulfanyl-4-oxidanylidene-quinolizine-3-carbonitrile

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]carbonyl-2-methylsulfanyl-4-oxidanylidene-quinolizine-3-carbonitrile Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carbonyl]-2-methylsulfanyl-4-oxo-quinolizine-3-carbonitrile CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperidinyl]-oxomethyl]-2-(methylthio)-4-oxo-3-quinolizinecarbonitrile IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carbonyl]-2-methylsulfanyl-4-oxoquinolizine-3-carbonitrile Traditional Name: 4-keto-2-(methylthio)-1-(4-piperonylpiperidine-1-carbonyl)quinolizine-3-carbonitrile Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)N3CCC(CC3)CC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)N3CCC(CC3)CC4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C25H23N3O4S/c1-33-23-18(14-26)24(29)28-9-3-2-4-19(28)22(23)25(30)27-10-7-16(8-11-27)12-17-5-6-20-21(13-17)32-15-31-20/h2-6,9,13,16H,7-8,10-12,15H2,1H3