2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-methoxy-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonitrile

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-methoxy-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonitrile Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-methoxy-1-oxo-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 2-[2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl]-6-methoxy-1-oxo-4-phenyl-3-isoquinolinecarbonitrile IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-methoxy-1-oxo-4-phenylisoquinoline-3-carbonitrile Traditional Name: 2-[2-[4-(4-fluorophenyl)piperazino]ethyl]-1-keto-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Formula: C29H27FN4O2 MolecularWeight: 482.548683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)CCN4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)CCN4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H27FN4O2/c1-36-24-11-12-25-26(19-24)28(21-5-3-2-4-6-21)27(20-31)34(29(25)35)18-15-32-13-16-33(17-14-32)23-9-7-22(30)8-10-23/h2-12,19H,13-18H2,1H3