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

Systemtic Name: 3-[4-(3-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Openeye Name: 3-[4-(3-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol CAS Name: 3-[4-(3-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-1-propanol IUPAC Name: 3-[4-(3-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Traditional Name: 3-[4-(3-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]propan-1-ol Formula: C24H30N2OS MolecularWeight: 394.5728

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC3=C(C=C2)SC4=CC=CC=C4CC3N5CCN(CC5)CCCO

Isomeric SMILES

C1CC1C2=CC3=C(C=C2)SC4=CC=CC=C4CC3N5CCN(CC5)CCCO

InChI

InChI=1S/C24H30N2OS/c27-15-3-10-25-11-13-26(14-12-25)22-17-20-4-1-2-5-23(20)28-24-9-8-19(16-21(22)24)18-6-7-18/h1-2,4-5,8-9,16,18,22,27H,3,6-7,10-15,17H2