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

Systemtic Name: 6-methoxy-1-oxidanylidene-4-phenyl-2-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoquinoline-3-carbonitrile Openeye Name: 6-methoxy-1-oxo-4-phenyl-2-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoquinoline-3-carbonitrile CAS Name: 6-methoxy-1-oxo-4-phenyl-2-[2-[4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-3-isoquinolinecarbonitrile IUPAC Name: 6-methoxy-1-oxo-4-phenyl-2-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoquinoline-3-carbonitrile Traditional Name: 1-keto-6-methoxy-4-phenyl-2-[2-[4-[4-(trifluoromethyl)phenyl]piperazino]ethyl]isoquinoline-3-carbonitrile Formula: C30H27F3N4O2 MolecularWeight: 532.55619

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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)C(F)(F)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)C(F)(F)F

InChI

InChI=1S/C30H27F3N4O2/c1-39-24-11-12-25-26(19-24)28(21-5-3-2-4-6-21)27(20-34)37(29(25)38)18-15-35-13-16-36(17-14-35)23-9-7-22(8-10-23)30(31,32)33/h2-12,19H,13-18H2,1H3