4-[4-(3-chloranyl-7-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-1-ol

Systemtic Name: 4-[4-(3-chloranyl-7-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-1-ol Openeye Name: 4-[4-(3-chloro-7-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-1-ol CAS Name: 4-[4-(3-chloro-7-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-1-butanol IUPAC Name: 4-[4-(3-chloro-7-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-1-ol Traditional Name: 4-[4-(3-chloro-7-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]butan-1-ol Formula: C23H29ClN2OS MolecularWeight: 417.00716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(C3=C(C=CC(=C3)Cl)SC2=CC=C1)N4CCN(CC4)CCCCO

Isomeric SMILES

CC1=C2CC(C3=C(C=CC(=C3)Cl)SC2=CC=C1)N4CCN(CC4)CCCCO

InChI

InChI=1S/C23H29ClN2OS/c1-17-5-4-6-22-19(17)16-21(20-15-18(24)7-8-23(20)28-22)26-12-10-25(11-13-26)9-2-3-14-27/h4-8,15,21,27H,2-3,9-14,16H2,1H3