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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)N4CCCCC4C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)N4CCCCC4C

InChI

InChI=1S/C27H30ClN3O3/c1-3-4-9-19-12-14-22(15-13-19)31-26(33)23(28)24(27(31)34)29-21-11-7-10-20(17-21)25(32)30-16-6-5-8-18(30)2/h7,10-15,17-18,29H,3-6,8-9,16H2,1-2H3