5-(diphenethylamino)-2-(4-fluorophenyl)-2-propan-2-yl-hexanenitrile

Systemtic Name: 5-(diphenethylamino)-2-(4-fluorophenyl)-2-propan-2-yl-hexanenitrile Openeye Name: 5-(diphenethylamino)-2-(4-fluorophenyl)-2-isopropyl-hexanenitrile CAS Name: 5-(diphenethylamino)-2-(4-fluorophenyl)-2-propan-2-ylhexanenitrile IUPAC Name: 5-(diphenethylamino)-2-(4-fluorophenyl)-2-propan-2-ylhexanenitrile Traditional Name: 5-(diphenethylamino)-2-(4-fluorophenyl)-2-isopropyl-hexanenitrile Formula: C31H37FN2 MolecularWeight: 456.637283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C)N(CCC1=CC=CC=C1)CCC2=CC=CC=C2)(C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C(CCC(C)N(CCC1=CC=CC=C1)CCC2=CC=CC=C2)(C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C31H37FN2/c1-25(2)31(24-33,29-14-16-30(32)17-15-29)21-18-26(3)34(22-19-27-10-6-4-7-11-27)23-20-28-12-8-5-9-13-28/h4-17,25-26H,18-23H2,1-3H3