1-(4-butylphenyl)-3-chloranyl-4-[(3-piperidin-1-ylcarbonylphenyl)amino]pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-chloranyl-4-[(3-piperidin-1-ylcarbonylphenyl)amino]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-chloro-4-[3-(piperidine-1-carbonyl)anilino]pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-chloro-4-[3-[oxo(1-piperidinyl)methyl]anilino]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-chloro-4-[3-(piperidine-1-carbonyl)anilino]pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-chloro-4-[3-(piperidine-1-carbonyl)anilino]-3-pyrroline-2,5-quinone Formula: C26H28ClN3O3 MolecularWeight: 465.97182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)N4CCCCC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C26H28ClN3O3/c1-2-3-8-18-11-13-21(14-12-18)30-25(32)22(27)23(26(30)33)28-20-10-7-9-19(17-20)24(31)29-15-5-4-6-16-29/h7,9-14,17,28H,2-6,8,15-16H2,1H3