2-(3,4-dimethoxyphenyl)-5-(2-phenylhexylamino)-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-(2-phenylhexylamino)-2-propan-2-yl-pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-(2-phenylhexylamino)pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-(2-phenylhexylamino)-2-propan-2-ylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-(2-phenylhexylamino)-2-propan-2-ylpentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-(2-phenylhexylamino)valeronitrile Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNCCCC(C#N)(C1=CC(=C(C=C1)OC)OC)C(C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCC(CNCCCC(C#N)(C1=CC(=C(C=C1)OC)OC)C(C)C)C2=CC=CC=C2

InChI

InChI=1S/C28H40N2O2/c1-6-7-12-24(23-13-9-8-10-14-23)20-30-18-11-17-28(21-29,22(2)3)25-15-16-26(31-4)27(19-25)32-5/h8-10,13-16,19,22,24,30H,6-7,11-12,17-18,20H2,1-5H3