3-[6-[(4-chlorophenyl)amino]hexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[6-[(4-chlorophenyl)amino]hexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[6-(4-chloroanilino)hexylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[6-(4-chloroanilino)hexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[6-(4-chloroanilino)hexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[6-(4-chloroanilino)hexylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C21H23ClN4O2 MolecularWeight: 398.88592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1NCCCCCCNC2=C(C(=O)C2=O)NC3=CC=NC=C3)Cl

InChI

InChI=1S/C21H23ClN4O2/c22-15-5-7-16(8-6-15)24-11-3-1-2-4-12-25-18-19(21(28)20(18)27)26-17-9-13-23-14-10-17/h5-10,13-14,24-25H,1-4,11-12H2,(H,23,26)