3-[1-(4-chlorophenyl)propan-2-ylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[1-(4-chlorophenyl)propan-2-ylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[[2-(4-chlorophenyl)-1-methyl-ethyl]amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[1-(4-chlorophenyl)propan-2-ylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[1-(4-chlorophenyl)propan-2-ylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[[2-(4-chlorophenyl)-1-methyl-ethyl]amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C18H16ClN3O2 MolecularWeight: 341.79154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)Cl)NC2=C(C(=O)C2=O)NC3=CC=NC=C3

Isomeric SMILES

CC(CC1=CC=C(C=C1)Cl)NC2=C(C(=O)C2=O)NC3=CC=NC=C3

InChI

InChI=1S/C18H16ClN3O2/c1-11(10-12-2-4-13(19)5-3-12)21-15-16(18(24)17(15)23)22-14-6-8-20-9-7-14/h2-9,11,21H,10H2,1H3,(H,20,22)