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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3

InChI

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