(5Z)-5-[3-(4-cyclohexylpiperazin-1-yl)propylidene]-7-methoxy-6H-[1]benzoxepino[2,3-b]pyridine

Systemtic Name: (5Z)-5-[3-(4-cyclohexylpiperazin-1-yl)propylidene]-7-methoxy-6H-[1]benzoxepino[2,3-b]pyridine Openeye Name: (5Z)-5-[3-(4-cyclohexylpiperazin-1-yl)propylidene]-7-methoxy-6H-[1]benzoxepino[2,3-b]pyridine CAS Name: (5Z)-5-[3-(4-cyclohexyl-1-piperazinyl)propylidene]-7-methoxy-6H-[1]benzoxepino[2,3-b]pyridine IUPAC Name: (5Z)-5-[3-(4-cyclohexylpiperazin-1-yl)propylidene]-7-methoxy-6H-[1]benzoxepino[2,3-b]pyridine Traditional Name: (5Z)-5-[3-(4-cyclohexylpiperazino)propylidene]-7-methoxy-6H-[1]benzoxepino[2,3-b]pyridine Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1CC(=CCCN3CCN(CC3)C4CCCCC4)C5=C(O2)N=CC=C5

Isomeric SMILES

COC1=CC=CC2=C1C/C(=C/CCN3CCN(CC3)C4CCCCC4)/C5=C(O2)N=CC=C5

InChI

InChI=1S/C27H35N3O2/c1-31-25-12-5-13-26-24(25)20-21(23-11-6-14-28-27(23)32-26)8-7-15-29-16-18-30(19-17-29)22-9-3-2-4-10-22/h5-6,8,11-14,22H,2-4,7,9-10,15-20H2,1H3/b21-8-