2-[2-(4-phenylpiperazin-1-yl)ethyl]-6H-benzo[c][1]benzoxepin-11-one

Systemtic Name: 2-[2-(4-phenylpiperazin-1-yl)ethyl]-6H-benzo[c][1]benzoxepin-11-one Openeye Name: 2-[2-(4-phenylpiperazin-1-yl)ethyl]-6H-benzo[c][1]benzoxepin-11-one CAS Name: 2-[2-(4-phenyl-1-piperazinyl)ethyl]-6H-benzo[c][1]benzoxepin-11-one IUPAC Name: 2-[2-(4-phenylpiperazin-1-yl)ethyl]-6H-benzo[c][1]benzoxepin-11-one Traditional Name: 2-[2-(4-phenylpiperazino)ethyl]-6H-benzo[c][1]benzoxepin-11-one Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC3=C(C=C2)OCC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCC2=CC3=C(C=C2)OCC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C26H26N2O2/c29-26-23-9-5-4-6-21(23)19-30-25-11-10-20(18-24(25)26)12-13-27-14-16-28(17-15-27)22-7-2-1-3-8-22/h1-11,18H,12-17,19H2