4-[4-(3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-1-ol

Systemtic Name: 4-[4-(3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-1-ol Openeye Name: 4-[4-(3-isopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-1-ol CAS Name: 4-[4-(3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-1-butanol IUPAC Name: 4-[4-(3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-1-ol Traditional Name: 4-[4-(3-isopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]butan-1-ol Formula: C25H34N2OS MolecularWeight: 410.61526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCCO

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCCO

InChI

InChI=1S/C25H34N2OS/c1-19(2)20-9-10-25-22(17-20)23(18-21-7-3-4-8-24(21)29-25)27-14-12-26(13-15-27)11-5-6-16-28/h3-4,7-10,17,19,23,28H,5-6,11-16,18H2,1-2H3