3-(2,4-dimethoxyphenyl)-N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(2,4-dimethoxyphenyl)-N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(2,4-dimethoxyphenyl)-N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(2,4-dimethoxyphenyl)-N-[2-[3-(4-ethyl-1-piperazinyl)propylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(2,4-dimethoxyphenyl)-N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-(2,4-dimethoxyphenyl)-N-[2-[3-(4-ethylpiperazino)propylamino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C28H36N6O5 MolecularWeight: 536.62264

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCNC(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CCN1CCN(CC1)CCCNC(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C28H36N6O5/c1-4-32-14-16-33(17-15-32)13-7-12-29-25(35)19-30-27(36)26-21-8-5-6-9-22(21)28(37)34(31-26)23-11-10-20(38-2)18-24(23)39-3/h5-6,8-11,18H,4,7,12-17,19H2,1-3H3,(H,29,35)(H,30,36)