3-azanyl-4-[[2-[(1-phenylethylamino)methyl]-3-pyridin-4-yl-phenyl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[[2-[(1-phenylethylamino)methyl]-3-pyridin-4-yl-phenyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[2-[(1-phenylethylamino)methyl]-3-(4-pyridyl)anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[2-[(1-phenylethylamino)methyl]-3-pyridin-4-ylanilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[2-[(1-phenylethylamino)methyl]-3-pyridin-4-ylanilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[2-[(1-phenylethylamino)methyl]-3-(4-pyridyl)anilino]cyclobut-3-ene-1,2-quinone Formula: C24H22N4O2 MolecularWeight: 398.45708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCC2=C(C=CC=C2NC3=C(C(=O)C3=O)N)C4=CC=NC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)NCC2=C(C=CC=C2NC3=C(C(=O)C3=O)N)C4=CC=NC=C4

InChI

InChI=1S/C24H22N4O2/c1-15(16-6-3-2-4-7-16)27-14-19-18(17-10-12-26-13-11-17)8-5-9-20(19)28-22-21(25)23(29)24(22)30/h2-13,15,27-28H,14,25H2,1H3