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

Systemtic Name: 2-[(4-methylphenyl)amino]-3-(4-phenylpiperazin-1-yl)naphthalene-1,4-dione Openeye Name: 2-(4-methylanilino)-3-(4-phenylpiperazin-1-yl)naphthalene-1,4-dione CAS Name: 2-(4-methylanilino)-3-(4-phenyl-1-piperazinyl)naphthalene-1,4-dione IUPAC Name: 2-(4-methylanilino)-3-(4-phenylpiperazin-1-yl)naphthalene-1,4-dione Traditional Name: 2-(4-phenylpiperazino)-3-(p-toluidino)-1,4-naphthoquinone Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O2/c1-19-11-13-20(14-12-19)28-24-25(27(32)23-10-6-5-9-22(23)26(24)31)30-17-15-29(16-18-30)21-7-3-2-4-8-21/h2-14,28H,15-18H2,1H3