(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(4-phenylpiperazino)propan-1-one Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H26N2O3S/c1-17(28-19-8-9-20-21(16-19)27-15-5-14-26-20)22(25)24-12-10-23(11-13-24)18-6-3-2-4-7-18/h2-4,6-9,16-17H,5,10-15H2,1H3/t17-/m1/s1