3-(3H-benzimidazol-5-ylamino)-4-[[(1R)-1-(3-hydroxyphenyl)-2-methyl-propyl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(3H-benzimidazol-5-ylamino)-4-[[(1R)-1-(3-hydroxyphenyl)-2-methyl-propyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(3H-benzimidazol-5-ylamino)-4-[[(1R)-1-(3-hydroxyphenyl)-2-methyl-propyl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-(3H-benzimidazol-5-ylamino)-4-[[(1R)-1-(3-hydroxyphenyl)-2-methylpropyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(3H-benzimidazol-5-ylamino)-4-[[(1R)-1-(3-hydroxyphenyl)-2-methylpropyl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(3H-benzimidazol-5-ylamino)-4-[[(1R)-1-(3-hydroxyphenyl)-2-methyl-propyl]amino]cyclobut-3-ene-1,2-quinone Formula: C21H20N4O3 MolecularWeight: 376.4085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC(=CC=C1)O)NC2=C(C(=O)C2=O)NC3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CC(C)[C@H](C1=CC(=CC=C1)O)NC2=C(C(=O)C2=O)NC3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H20N4O3/c1-11(2)17(12-4-3-5-14(26)8-12)25-19-18(20(27)21(19)28)24-13-6-7-15-16(9-13)23-10-22-15/h3-11,17,24-26H,1-2H3,(H,22,23)/t17-/m1/s1