1-(3,4-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 1-(3,4-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 1-(3,4-dimethoxyphenyl)-3-(4-ethyl-1-piperazinyl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-(3,4-dimethoxyphenyl)-3-(4-ethylpiperazino)-4-(5-keto-1-phenyl-3-propyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C30H35N5O5 MolecularWeight: 545.6294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC(=C(C=C4)OC)OC)N5CCN(CC5)CC

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC(=C(C=C4)OC)OC)N5CCN(CC5)CC

InChI

InChI=1S/C30H35N5O5/c1-5-10-22-25(29(37)35(31-22)20-11-8-7-9-12-20)26-27(33-17-15-32(6-2)16-18-33)30(38)34(28(26)36)21-13-14-23(39-3)24(19-21)40-4/h7-9,11-14,19,31H,5-6,10,15-18H2,1-4H3