3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl butanoate

Systemtic Name: 3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl butanoate Openeye Name: 3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl butanoate CAS Name: butanoic acid 3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]propyl ester IUPAC Name: 3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl butanoate Traditional Name: butyric acid 3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]propyl ester Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)OC

Isomeric SMILES

CCCC(=O)OCCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)OC

InChI

InChI=1S/C26H34N2O3S/c1-3-7-26(29)31-17-6-12-27-13-15-28(16-14-27)23-18-20-8-4-5-9-24(20)32-25-11-10-21(30-2)19-22(23)25/h4-5,8-11,19,23H,3,6-7,12-18H2,1-2H3