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

Systemtic Name: 3-[2-(azepan-1-yl)ethylamino]-4-phenyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[2-(azepan-1-yl)ethylamino]-4-phenyl-cyclobut-3-ene-1,2-dione CAS Name: 3-[2-(1-azepanyl)ethylamino]-4-phenylcyclobut-3-ene-1,2-dione IUPAC Name: 3-[2-(azepan-1-yl)ethylamino]-4-phenylcyclobut-3-ene-1,2-dione Traditional Name: 3-[2-(azepan-1-yl)ethylamino]-4-phenyl-cyclobut-3-ene-1,2-quinone Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC2=C(C(=O)C2=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CCNC2=C(C(=O)C2=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22N2O2/c21-17-15(14-8-4-3-5-9-14)16(18(17)22)19-10-13-20-11-6-1-2-7-12-20/h3-5,8-9,19H,1-2,6-7,10-13H2