2-(3,4-dimethoxyphenyl)-6-(2,2-diphenylethylamino)-2-propan-2-yl-hex-4-ynenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-6-(2,2-diphenylethylamino)-2-propan-2-yl-hex-4-ynenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-6-(2,2-diphenylethylamino)-2-isopropyl-hex-4-ynenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-6-(2,2-diphenylethylamino)-2-propan-2-yl-4-hexynenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-6-(2,2-diphenylethylamino)-2-propan-2-ylhex-4-ynenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-6-(2,2-diphenylethylamino)-2-isopropyl-hex-4-ynenitrile Formula: C31H34N2O2 MolecularWeight: 466.61386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC#CCNCC(C1=CC=CC=C1)C2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C(CC#CCNCC(C1=CC=CC=C1)C2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

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