1-[4-(diphenylmethyl)piperazin-1-yl]-3-methylsulfanyl-3-pyrrolidin-2-yl-propan-1-one

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-methylsulfanyl-3-pyrrolidin-2-yl-propan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-methylsulfanyl-3-pyrrolidin-2-yl-propan-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-(methylthio)-3-(2-pyrrolidinyl)-1-propanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-methylsulfanyl-3-pyrrolidin-2-ylpropan-1-one Traditional Name: 1-(4-benzhydrylpiperazino)-3-(methylthio)-3-pyrrolidin-2-yl-propan-1-one Formula: C25H33N3OS MolecularWeight: 423.61402

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4CCCN4

Isomeric SMILES

CSC(CC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4CCCN4

InChI

InChI=1S/C25H33N3OS/c1-30-23(22-13-8-14-26-22)19-24(29)27-15-17-28(18-16-27)25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,22-23,25-26H,8,13-19H2,1H3