4-pyren-1-yl-2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]benzenecarbonitrile

Systemtic Name: 4-pyren-1-yl-2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]benzenecarbonitrile Openeye Name: 4-pyren-1-yl-2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]benzonitrile CAS Name: 4-(1-pyrenyl)-2-(1-pyrrolidinyl)-6-[4-(trifluoromethyl)phenyl]benzonitrile IUPAC Name: 4-pyren-1-yl-2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]benzonitrile Traditional Name: 4-pyren-1-yl-2-pyrrolidino-6-[4-(trifluoromethyl)phenyl]benzonitrile Formula: C34H23F3N2 MolecularWeight: 516.55503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=CC(=C2C#N)C3=CC=C(C=C3)C(F)(F)F)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4

Isomeric SMILES

C1CCN(C1)C2=CC(=CC(=C2C#N)C3=CC=C(C=C3)C(F)(F)F)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4

InChI

InChI=1S/C34H23F3N2/c35-34(36,37)26-12-8-21(9-13-26)29-18-25(19-31(30(29)20-38)39-16-1-2-17-39)27-14-10-24-7-6-22-4-3-5-23-11-15-28(27)33(24)32(22)23/h3-15,18-19H,1-2,16-17H2