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

Systemtic Name: 1-cyclohexyl-3-(4-ethylpiperazin-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 1-cyclohexyl-3-(4-ethylpiperazin-1-yl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 1-cyclohexyl-3-(4-ethyl-1-piperazinyl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 1-cyclohexyl-3-(4-ethylpiperazin-1-yl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-(4-ethylpiperazino)-4-(5-keto-1-phenyl-3-propyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C28H37N5O3 MolecularWeight: 491.62508

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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)C4CCCCC4)N5CCN(CC5)CC

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4CCCCC4)N5CCN(CC5)CC

InChI

InChI=1S/C28H37N5O3/c1-3-11-22-23(27(35)33(29-22)21-14-9-6-10-15-21)24-25(31-18-16-30(4-2)17-19-31)28(36)32(26(24)34)20-12-7-5-8-13-20/h6,9-10,14-15,20,29H,3-5,7-8,11-13,16-19H2,1-2H3