2-[3,4-bis(fluoranyl)phenyl]-5-[(phenylmethyl)-propyl-amino]-2-propan-2-yl-heptanenitrile

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-5-[(phenylmethyl)-propyl-amino]-2-propan-2-yl-heptanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-(3,4-difluorophenyl)-2-isopropyl-heptanenitrile CAS Name: 2-(3,4-difluorophenyl)-5-[(phenylmethyl)-propylamino]-2-propan-2-ylheptanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-(3,4-difluorophenyl)-2-propan-2-ylheptanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-(3,4-difluorophenyl)-2-isopropyl-enanthonitrile Formula: C26H34F2N2 MolecularWeight: 412.558366

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(CC)CCC(C#N)(C2=CC(=C(C=C2)F)F)C(C)C

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(CC)CCC(C#N)(C2=CC(=C(C=C2)F)F)C(C)C

InChI

InChI=1S/C26H34F2N2/c1-5-16-30(18-21-10-8-7-9-11-21)23(6-2)14-15-26(19-29,20(3)4)22-12-13-24(27)25(28)17-22/h7-13,17,20,23H,5-6,14-16,18H2,1-4H3