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

Systemtic Name: 1-(4-butylphenyl)-3-chloranyl-4-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]amino]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-chloro-4-[3-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-chloro-4-[3-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-chloro-4-[3-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-chloro-4-[3-(4-methylpiperidine-1-carbonyl)anilino]-3-pyrroline-2,5-quinone Formula: C27H30ClN3O3 MolecularWeight: 479.9984

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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)N4CCC(CC4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)N4CCC(CC4)C

InChI

InChI=1S/C27H30ClN3O3/c1-3-4-6-19-9-11-22(12-10-19)31-26(33)23(28)24(27(31)34)29-21-8-5-7-20(17-21)25(32)30-15-13-18(2)14-16-30/h5,7-12,17-18,29H,3-4,6,13-16H2,1-2H3