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

Systemtic Name: 3-[(4-phenoxyphenyl)methylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[(4-phenoxyphenyl)methylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[(4-phenoxyphenyl)methylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(4-phenoxyphenyl)methylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[(4-phenoxybenzyl)amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC3=C(C(=O)C3=O)NC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC3=C(C(=O)C3=O)NC4=CC=NC=C4

InChI

InChI=1S/C22H17N3O3/c26-21-19(20(22(21)27)25-16-10-12-23-13-11-16)24-14-15-6-8-18(9-7-15)28-17-4-2-1-3-5-17/h1-13,24H,14H2,(H,23,25)