methyl 4-[[4,8-bis(oxidanylidene)-3-(4-phenylpiperazin-1-yl)naphthalen-1-yl]amino]benzoate

Systemtic Name: methyl 4-[[4,8-bis(oxidanylidene)-3-(4-phenylpiperazin-1-yl)naphthalen-1-yl]amino]benzoate Openeye Name: methyl 4-[[4,8-dioxo-3-(4-phenylpiperazin-1-yl)-1-naphthyl]amino]benzoate CAS Name: 4-[[4,8-dioxo-3-(4-phenyl-1-piperazinyl)-1-naphthalenyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4,8-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-1-yl]amino]benzoate Traditional Name: 4-[[4,8-diketo-3-(4-phenylpiperazino)-1-naphthyl]amino]benzoic acid methyl ester Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C3C(=O)C=CC=C3C(=O)C(=C2)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C3C(=O)C=CC=C3C(=O)C(=C2)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O4/c1-35-28(34)19-10-12-20(13-11-19)29-23-18-24(27(33)22-8-5-9-25(32)26(22)23)31-16-14-30(15-17-31)21-6-3-2-4-7-21/h2-13,18,29H,14-17H2,1H3