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

Systemtic Name: 3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl pentanoate Openeye Name: 3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl pentanoate CAS Name: pentanoic 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 pentanoate Traditional Name: valeric acid 3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]propyl ester Formula: C27H36N2O3S MolecularWeight: 468.65134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O3S/c1-3-4-10-27(30)32-18-7-13-28-14-16-29(17-15-28)24-19-21-8-5-6-9-25(21)33-26-12-11-22(31-2)20-23(24)26/h5-6,8-9,11-12,20,24H,3-4,7,10,13-19H2,1-2H3