5-[anthracen-9-yl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[anthracen-9-yl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[9-anthryl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 5-[9-anthracenyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[anthracen-9-yl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[9-anthryl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile Formula: C31H34N2O2 MolecularWeight: 466.61386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN(C)C1=C2C=CC=CC2=CC3=CC=CC=C31)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C(CCCN(C)C1=C2C=CC=CC2=CC3=CC=CC=C31)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C31H34N2O2/c1-22(2)31(21-32,25-15-16-28(34-4)29(20-25)35-5)17-10-18-33(3)30-26-13-8-6-11-23(26)19-24-12-7-9-14-27(24)30/h6-9,11-16,19-20,22H,10,17-18H2,1-5H3