2-(phenethylamino)-3-(4-propan-2-ylphenyl)naphthalene-1,4-dione

Systemtic Name: 2-(phenethylamino)-3-(4-propan-2-ylphenyl)naphthalene-1,4-dione Openeye Name: 2-(4-isopropylphenyl)-3-(phenethylamino)naphthalene-1,4-dione CAS Name: 2-(phenethylamino)-3-(4-propan-2-ylphenyl)naphthalene-1,4-dione IUPAC Name: 2-(phenethylamino)-3-(4-propan-2-ylphenyl)naphthalene-1,4-dione Traditional Name: 2-p-cumenyl-3-(phenethylamino)-1,4-naphthoquinone Formula: C27H25NO2 MolecularWeight: 395.4929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H25NO2/c1-18(2)20-12-14-21(15-13-20)24-25(28-17-16-19-8-4-3-5-9-19)27(30)23-11-7-6-10-22(23)26(24)29/h3-15,18,28H,16-17H2,1-2H3