3-(4-ethylpiperazin-1-yl)-4-[2-(4-methoxyphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-(4-ethylpiperazin-1-yl)-4-[2-(4-methoxyphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4-ethylpiperazin-1-yl)-4-[2-(4-methoxyphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]pyrrole-2,5-dione CAS Name: 3-(4-ethyl-1-piperazinyl)-4-[2-(4-methoxyphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4-ethylpiperazin-1-yl)-4-[2-(4-methoxyphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]pyrrole-2,5-dione Traditional Name: 1-benzyl-3-(4-ethylpiperazino)-4-[5-keto-1-(4-methoxyphenyl)-3-methyl-3-pyrazolin-4-yl]-3-pyrroline-2,5-quinone Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)C4=C(NN(C4=O)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)C4=C(NN(C4=O)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C28H31N5O4/c1-4-30-14-16-31(17-15-30)25-24(26(34)32(28(25)36)18-20-8-6-5-7-9-20)23-19(2)29-33(27(23)35)21-10-12-22(37-3)13-11-21/h5-13,29H,4,14-18H2,1-3H3