3-(azepan-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(azepan-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(azepan-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(1-azepanyl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(azepan-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(azepan-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-quinone Formula: C19H23NO2 MolecularWeight: 297.39142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)N3CCCCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)N3CCCCCC3)C)C

InChI

InChI=1S/C19H23NO2/c1-12-10-14(3)15(11-13(12)2)16-17(19(22)18(16)21)20-8-6-4-5-7-9-20/h10-11H,4-9H2,1-3H3