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

Systemtic Name: 3-(azepan-1-yl)-4-phenyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-(azepan-1-yl)-4-phenyl-cyclobut-3-ene-1,2-dione CAS Name: 3-(1-azepanyl)-4-phenylcyclobut-3-ene-1,2-dione IUPAC Name: 3-(azepan-1-yl)-4-phenylcyclobut-3-ene-1,2-dione Traditional Name: 3-(azepan-1-yl)-4-phenyl-cyclobut-3-ene-1,2-quinone Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C2=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H17NO2/c18-15-13(12-8-4-3-5-9-12)14(16(15)19)17-10-6-1-2-7-11-17/h3-5,8-9H,1-2,6-7,10-11H2