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

Systemtic Name: 3-(azepan-1-yl)-1-(4-butylphenyl)-4-chloranyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-(4-butylphenyl)-4-chloro-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-(4-butylphenyl)-4-chloropyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-(4-butylphenyl)-4-chloropyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-(4-butylphenyl)-4-chloro-3-pyrroline-2,5-quinone Formula: C20H25ClN2O2 MolecularWeight: 360.8777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3

InChI

InChI=1S/C20H25ClN2O2/c1-2-3-8-15-9-11-16(12-10-15)23-19(24)17(21)18(20(23)25)22-13-6-4-5-7-14-22/h9-12H,2-8,13-14H2,1H3