6,11-dihydrobenzo[c][1]benzoxepin-11-yl-[4-(2-oxidanyl-3-quinolin-5-yloxy-propyl)piperazin-1-yl]methanone

Systemtic Name: 6,11-dihydrobenzo[c][1]benzoxepin-11-yl-[4-(2-oxidanyl-3-quinolin-5-yloxy-propyl)piperazin-1-yl]methanone Openeye Name: 6,11-dihydrobenzo[c][1]benzoxepin-11-yl-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazin-1-yl]methanone CAS Name: 6,11-dihydrobenzo[c][1]benzoxepin-11-yl-[4-[2-hydroxy-3-(5-quinolinyloxy)propyl]-1-piperazinyl]methanone IUPAC Name: 6,11-dihydrobenzo[c][1]benzoxepin-11-yl-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]methanone Traditional Name: 6,11-dihydrobenzo[c][1]benzoxepin-11-yl-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazino]methanone Formula: C31H31N3O4 MolecularWeight: 509.59554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C4C5=CC=CC=C5COC6=CC=CC=C46

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C4C5=CC=CC=C5COC6=CC=CC=C46

InChI

InChI=1S/C31H31N3O4/c35-23(21-38-28-13-5-11-27-25(28)10-6-14-32-27)19-33-15-17-34(18-16-33)31(36)30-24-8-2-1-7-22(24)20-37-29-12-4-3-9-26(29)30/h1-14,23,30,35H,15-21H2