1-(4-butylphenyl)-3-chloranyl-4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-chloranyl-4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-chloro-4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-chloro-4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-chloro-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-chloro-4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-3-pyrroline-2,5-quinone Formula: C25H25ClN4O3 MolecularWeight: 464.944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C25H25ClN4O3/c1-4-5-9-17-12-14-18(15-13-17)29-23(31)20(26)22(24(29)32)27-21-16(2)28(3)30(25(21)33)19-10-7-6-8-11-19/h6-8,10-15,27H,4-5,9H2,1-3H3