2-[4-bromanyl-2-[3-[methyl(phenethyl)amino]propyl]phenyl]-2-cyclopropyl-ethanenitrile

Systemtic Name: 2-[4-bromanyl-2-[3-[methyl(phenethyl)amino]propyl]phenyl]-2-cyclopropyl-ethanenitrile Openeye Name: 2-[4-bromo-2-[3-[methyl(phenethyl)amino]propyl]phenyl]-2-cyclopropyl-acetonitrile CAS Name: 2-[4-bromo-2-[3-[methyl(phenethyl)amino]propyl]phenyl]-2-cyclopropylacetonitrile IUPAC Name: 2-[4-bromo-2-[3-[methyl(phenethyl)amino]propyl]phenyl]-2-cyclopropylacetonitrile Traditional Name: 2-[4-bromo-2-[3-[methyl(phenethyl)amino]propyl]phenyl]-2-cyclopropyl-acetonitrile Formula: C23H27BrN2 MolecularWeight: 411.37788

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=C(C=CC(=C1)Br)C(C#N)C2CC2)CCC3=CC=CC=C3

Isomeric SMILES

CN(CCCC1=C(C=CC(=C1)Br)C(C#N)C2CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H27BrN2/c1-26(15-13-18-6-3-2-4-7-18)14-5-8-20-16-21(24)11-12-22(20)23(17-25)19-9-10-19/h2-4,6-7,11-12,16,19,23H,5,8-10,13-15H2,1H3