(4-cycloheptylpiperazin-1-yl)-[2-(naphthalen-1-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: (4-cycloheptylpiperazin-1-yl)-[2-(naphthalen-1-ylmethylsulfanyl)phenyl]methanone Openeye Name: (4-cycloheptylpiperazin-1-yl)-[2-(1-naphthylmethylsulfanyl)phenyl]methanone CAS Name: (4-cycloheptyl-1-piperazinyl)-[2-(1-naphthalenylmethylthio)phenyl]methanone IUPAC Name: (4-cycloheptylpiperazin-1-yl)-[2-(naphthalen-1-ylmethylsulfanyl)phenyl]methanone Traditional Name: (4-cycloheptylpiperazino)-[2-(1-naphthylmethylthio)phenyl]methanone Formula: C29H34N2OS MolecularWeight: 458.65806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCCC(CC1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H34N2OS/c32-29(31-20-18-30(19-21-31)25-13-3-1-2-4-14-25)27-16-7-8-17-28(27)33-22-24-12-9-11-23-10-5-6-15-26(23)24/h5-12,15-17,25H,1-4,13-14,18-22H2