2-[(3,5-dimethylphenyl)amino]-3-(4-phenylpiperazin-1-yl)naphthalene-1,4-dione

Systemtic Name: 2-[(3,5-dimethylphenyl)amino]-3-(4-phenylpiperazin-1-yl)naphthalene-1,4-dione Openeye Name: 2-(3,5-dimethylanilino)-3-(4-phenylpiperazin-1-yl)naphthalene-1,4-dione CAS Name: 2-(3,5-dimethylanilino)-3-(4-phenyl-1-piperazinyl)naphthalene-1,4-dione IUPAC Name: 2-(3,5-dimethylanilino)-3-(4-phenylpiperazin-1-yl)naphthalene-1,4-dione Traditional Name: 2-(3,5-dimethylanilino)-3-(4-phenylpiperazino)-1,4-naphthoquinone Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H27N3O2/c1-19-16-20(2)18-21(17-19)29-25-26(28(33)24-11-7-6-10-23(24)27(25)32)31-14-12-30(13-15-31)22-8-4-3-5-9-22/h3-11,16-18,29H,12-15H2,1-2H3