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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(C2=CC=NC=C2)C3=CC(=CC=C3)NC4=C(C(=O)C4=O)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC(C2=CC=NC=C2)C3=CC(=CC=C3)NC4=C(C(=O)C4=O)N

InChI

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