2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-6-cyclopropyl-4-(furan-2-yl)benzenecarbonitrile

Systemtic Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-6-cyclopropyl-4-(furan-2-yl)benzenecarbonitrile Openeye Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-6-cyclopropyl-4-(2-furyl)benzonitrile CAS Name: 2-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-6-cyclopropyl-4-(2-furanyl)benzonitrile IUPAC Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-6-cyclopropyl-4-(furan-2-yl)benzonitrile Traditional Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazino]-6-cyclopropyl-4-(2-furyl)benzonitrile Formula: C31H27F2N3O MolecularWeight: 495.562386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=CC(=C2)C3=CC=CO3)N4CCN(CC4)C(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F)C#N

Isomeric SMILES

C1CC1C2=C(C(=CC(=C2)C3=CC=CO3)N4CCN(CC4)C(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F)C#N

InChI

InChI=1S/C31H27F2N3O/c32-25-9-5-22(6-10-25)31(23-7-11-26(33)12-8-23)36-15-13-35(14-16-36)29-19-24(30-2-1-17-37-30)18-27(21-3-4-21)28(29)20-34/h1-2,5-12,17-19,21,31H,3-4,13-16H2