1-(4-butylphenyl)-3-chloranyl-4-[[3-(2-ethylpiperidin-1-yl)carbonylphenyl]amino]pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-chloranyl-4-[[3-(2-ethylpiperidin-1-yl)carbonylphenyl]amino]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-chloro-4-[3-(2-ethylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-chloro-4-[3-[(2-ethyl-1-piperidinyl)-oxomethyl]anilino]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-chloro-4-[3-(2-ethylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-chloro-4-[3-(2-ethylpiperidine-1-carbonyl)anilino]-3-pyrroline-2,5-quinone Formula: C28H32ClN3O3 MolecularWeight: 494.02498

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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)N4CCCCC4CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)N4CCCCC4CC

InChI

InChI=1S/C28H32ClN3O3/c1-3-5-9-19-13-15-23(16-14-19)32-27(34)24(29)25(28(32)35)30-21-11-8-10-20(18-21)26(33)31-17-7-6-12-22(31)4-2/h8,10-11,13-16,18,22,30H,3-7,9,12,17H2,1-2H3