3-[2-(4-phenoxyphenyl)ethylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[2-(4-phenoxyphenyl)ethylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[2-(4-phenoxyphenyl)ethylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[2-(4-phenoxyphenyl)ethylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[2-(4-phenoxyphenyl)ethylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[2-(4-phenoxyphenyl)ethylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CCNC3=C(C(=O)C3=O)NC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CCNC3=C(C(=O)C3=O)NC4=CC=NC=C4

InChI

InChI=1S/C23H19N3O3/c27-22-20(21(23(22)28)26-17-11-13-24-14-12-17)25-15-10-16-6-8-19(9-7-16)29-18-4-2-1-3-5-18/h1-9,11-14,25H,10,15H2,(H,24,26)