3-[4-(3-chloranyl-6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol

Systemtic Name: 3-[4-(3-chloranyl-6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Openeye Name: 3-[4-(3-chloro-6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol CAS Name: 3-[4-(3-chloro-6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-1-propanol IUPAC Name: 3-[4-(3-chloro-6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Traditional Name: 3-[4-(3-chloro-6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]propan-1-ol Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C13)N4CCN(CC4)CCCO

Isomeric SMILES

CC1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C13)N4CCN(CC4)CCCO

InChI

InChI=1S/C22H27ClN2OS/c1-16-18-5-2-3-6-20(18)27-21-8-7-17(23)15-19(21)22(16)25-12-10-24(11-13-25)9-4-14-26/h2-3,5-8,15-16,22,26H,4,9-14H2,1H3