2-(3,4-dimethoxyphenyl)-5-(6-phenylhexylamino)-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-(6-phenylhexylamino)-2-propan-2-yl-pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-(6-phenylhexylamino)pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-(6-phenylhexylamino)-2-propan-2-ylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-(6-phenylhexylamino)-2-propan-2-ylpentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-(6-phenylhexylamino)valeronitrile Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCNCCCCCCC1=CC=CC=C1)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)C(CCCNCCCCCCC1=CC=CC=C1)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C28H40N2O2/c1-23(2)28(22-29,25-16-17-26(31-3)27(21-25)32-4)18-12-20-30-19-11-6-5-8-13-24-14-9-7-10-15-24/h7,9-10,14-17,21,23,30H,5-6,8,11-13,18-20H2,1-4H3