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

Systemtic Name: butyl 4-[[4,8-bis(oxidanylidene)-3-(4-phenylpiperazin-1-yl)naphthalen-1-yl]amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C31H31N3O4 MolecularWeight: 509.59554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31N3O4/c1-2-3-20-38-31(37)22-12-14-23(15-13-22)32-26-21-27(30(36)25-10-7-11-28(35)29(25)26)34-18-16-33(17-19-34)24-8-5-4-6-9-24/h4-15,21,32H,2-3,16-20H2,1H3