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

Systemtic Name: 1-(4-butylphenyl)-3-chloranyl-4-[[3-(3-methylpiperidin-1-yl)carbonylphenyl]amino]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-chloro-4-[3-(3-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-chloro-4-[3-[(3-methyl-1-piperidinyl)-oxomethyl]anilino]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-chloro-4-[3-(3-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-chloro-4-[3-(3-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)N4CCCC(C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)N4CCCC(C4)C

InChI

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