3-(3,4-dimethylphenyl)-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(3,4-dimethylphenyl)-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-(3,4-dimethylphenyl)-4-(2-pyridylmethylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-(3,4-dimethylphenyl)-4-(2-pyridinylmethylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(3,4-dimethylphenyl)-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(3,4-dimethylphenyl)-4-(2-pyridylmethylamino)cyclobut-3-ene-1,2-quinone Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C(=O)C2=O)NCC3=CC=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C(=O)C2=O)NCC3=CC=CC=N3)C

InChI

InChI=1S/C18H16N2O2/c1-11-6-7-13(9-12(11)2)15-16(18(22)17(15)21)20-10-14-5-3-4-8-19-14/h3-9,20H,10H2,1-2H3