3-(3H-benzimidazol-5-ylmethylamino)-4-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(3H-benzimidazol-5-ylmethylamino)-4-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(3H-benzimidazol-5-ylmethylamino)-4-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-(3H-benzimidazol-5-ylmethylamino)-4-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(3H-benzimidazol-5-ylmethylamino)-4-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(3H-benzimidazol-5-ylmethylamino)-4-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]cyclobut-3-ene-1,2-quinone Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)O)NC2=C(C(=O)C2=O)NCC3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)O)NC2=C(C(=O)C2=O)NCC3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C20H18N4O3/c1-11(13-3-2-4-14(25)8-13)24-18-17(19(26)20(18)27)21-9-12-5-6-15-16(7-12)23-10-22-15/h2-8,10-11,21,24-25H,9H2,1H3,(H,22,23)/t11-/m0/s1