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

Systemtic Name: 3-(azepan-1-yl)-4-chloranyl-1-(2-methylphenyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-4-chloro-1-(o-tolyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-chloro-1-(2-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-chloro-1-(2-methylphenyl)pyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-4-chloro-1-(o-tolyl)-3-pyrroline-2,5-quinone Formula: C17H19ClN2O2 MolecularWeight: 318.79796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3

InChI

InChI=1S/C17H19ClN2O2/c1-12-8-4-5-9-13(12)20-16(21)14(18)15(17(20)22)19-10-6-2-3-7-11-19/h4-5,8-9H,2-3,6-7,10-11H2,1H3