3-(tert-butylamino)-4-[(2-pyridin-4-ylphenyl)methylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(tert-butylamino)-4-[(2-pyridin-4-ylphenyl)methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(tert-butylamino)-4-[[2-(4-pyridyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(tert-butylamino)-4-[(2-pyridin-4-ylphenyl)methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(tert-butylamino)-4-[(2-pyridin-4-ylphenyl)methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(tert-butylamino)-4-[[2-(4-pyridyl)benzyl]amino]cyclobut-3-ene-1,2-quinone Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C(=O)C1=O)NCC2=CC=CC=C2C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)NC1=C(C(=O)C1=O)NCC2=CC=CC=C2C3=CC=NC=C3

InChI

InChI=1S/C20H21N3O2/c1-20(2,3)23-17-16(18(24)19(17)25)22-12-14-6-4-5-7-15(14)13-8-10-21-11-9-13/h4-11,22-23H,12H2,1-3H3