1-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]propan-1-one

Systemtic Name: 1-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]propan-1-one Openeye Name: 1-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]propan-1-one CAS Name: 1-[5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]-1-propanone IUPAC Name: 1-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]propan-1-one Traditional Name: 1-[5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]propan-1-one Formula: C22H26N2OS MolecularWeight: 366.51964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C

InChI

InChI=1S/C22H26N2OS/c1-3-20(25)16-8-9-22-18(14-16)19(24-12-10-23(2)11-13-24)15-17-6-4-5-7-21(17)26-22/h4-9,14,19H,3,10-13,15H2,1-2H3