3-(azepan-1-yl)-4-chloranyl-1-(2,6-dimethylphenyl)pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-4-chloranyl-1-(2,6-dimethylphenyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-4-chloro-1-(2,6-dimethylphenyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-chloro-1-(2,6-dimethylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-chloro-1-(2,6-dimethylphenyl)pyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-4-chloro-1-(2,6-dimethylphenyl)-3-pyrroline-2,5-quinone Formula: C18H21ClN2O2 MolecularWeight: 332.82454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3

InChI

InChI=1S/C18H21ClN2O2/c1-12-8-7-9-13(2)15(12)21-17(22)14(19)16(18(21)23)20-10-5-3-4-6-11-20/h7-9H,3-6,10-11H2,1-2H3