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

Systemtic Name: 3-[4-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Openeye Name: 3-[4-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol CAS Name: 3-[4-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-1-propanol IUPAC Name: 3-[4-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Traditional Name: 3-[4-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]propan-1-ol Formula: C26H34N2OS MolecularWeight: 422.62596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=CC3=C(C=C2)SC4=CC=CC=C4CC3N5CCN(CC5)CCCO

Isomeric SMILES

C1CCC(C1)C2=CC3=C(C=C2)SC4=CC=CC=C4CC3N5CCN(CC5)CCCO

InChI

InChI=1S/C26H34N2OS/c29-17-5-12-27-13-15-28(16-14-27)24-19-22-8-3-4-9-25(22)30-26-11-10-21(18-23(24)26)20-6-1-2-7-20/h3-4,8-11,18,20,24,29H,1-2,5-7,12-17,19H2