2-cyclopropyl-5-[ethyl-(phenylmethyl)amino]-2-(4-fluorophenyl)heptanenitrile

Systemtic Name: 2-cyclopropyl-5-[ethyl-(phenylmethyl)amino]-2-(4-fluorophenyl)heptanenitrile Openeye Name: 5-[benzyl(ethyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile CAS Name: 2-cyclopropyl-5-[ethyl-(phenylmethyl)amino]-2-(4-fluorophenyl)heptanenitrile IUPAC Name: 5-[benzyl(ethyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile Traditional Name: 5-[benzyl(ethyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)enanthonitrile Formula: C25H31FN2 MolecularWeight: 378.525443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C#N)(C1CC1)C2=CC=C(C=C2)F)N(CC)CC3=CC=CC=C3

Isomeric SMILES

CCC(CCC(C#N)(C1CC1)C2=CC=C(C=C2)F)N(CC)CC3=CC=CC=C3

InChI

InChI=1S/C25H31FN2/c1-3-24(28(4-2)18-20-8-6-5-7-9-20)16-17-25(19-27,21-10-11-21)22-12-14-23(26)15-13-22/h5-9,12-15,21,24H,3-4,10-11,16-18H2,1-2H3