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

Systemtic Name: 3-(azepan-1-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(azepan-1-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(1-azepanyl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(azepan-1-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(azepan-1-yl)-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-quinone Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C(=O)C2=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C(=O)C2=O)N3CCCCCC3)C

InChI

InChI=1S/C18H21NO2/c1-12-7-8-14(11-13(12)2)15-16(18(21)17(15)20)19-9-5-3-4-6-10-19/h7-8,11H,3-6,9-10H2,1-2H3