3-[[3-(azepan-1-ylcarbonyl)phenyl]amino]-1-(4-butylphenyl)-4-chloranyl-pyrrole-2,5-dione

Systemtic Name: 3-[[3-(azepan-1-ylcarbonyl)phenyl]amino]-1-(4-butylphenyl)-4-chloranyl-pyrrole-2,5-dione Openeye Name: 3-[3-(azepane-1-carbonyl)anilino]-1-(4-butylphenyl)-4-chloro-pyrrole-2,5-dione CAS Name: 3-[3-[1-azepanyl(oxo)methyl]anilino]-1-(4-butylphenyl)-4-chloropyrrole-2,5-dione IUPAC Name: 3-[3-(azepane-1-carbonyl)anilino]-1-(4-butylphenyl)-4-chloropyrrole-2,5-dione Traditional Name: 3-[3-(azepane-1-carbonyl)anilino]-1-(4-butylphenyl)-4-chloro-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)N4CCCCCC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H30ClN3O3/c1-2-3-9-19-12-14-22(15-13-19)31-26(33)23(28)24(27(31)34)29-21-11-8-10-20(18-21)25(32)30-16-6-4-5-7-17-30/h8,10-15,18,29H,2-7,9,16-17H2,1H3