2-(3,4-dimethoxyphenyl)-5-(phenanthren-9-ylmethylamino)-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-(phenanthren-9-ylmethylamino)-2-propan-2-yl-pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-(9-phenanthrylmethylamino)pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-(9-phenanthrenylmethylamino)-2-propan-2-ylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-(phenanthren-9-ylmethylamino)-2-propan-2-ylpentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-(9-phenanthrylmethylamino)valeronitrile Formula: C31H34N2O2 MolecularWeight: 466.61386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCNCC1=CC2=CC=CC=C2C3=CC=CC=C31)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C(CCCNCC1=CC2=CC=CC=C2C3=CC=CC=C31)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C31H34N2O2/c1-22(2)31(21-32,25-14-15-29(34-3)30(19-25)35-4)16-9-17-33-20-24-18-23-10-5-6-11-26(23)28-13-8-7-12-27(24)28/h5-8,10-15,18-19,22,33H,9,16-17,20H2,1-4H3