3-[(2-oxidanyl-1-phenyl-ethyl)amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(2-oxidanyl-1-phenyl-ethyl)amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[(2-hydroxy-1-phenyl-ethyl)amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[(2-hydroxy-1-phenylethyl)amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(2-hydroxy-1-phenylethyl)amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[(2-hydroxy-1-phenyl-ethyl)amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CO)NC2=C(C(=O)C2=O)NC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CO)NC2=C(C(=O)C2=O)NC3=CC=NC=C3

InChI

InChI=1S/C17H15N3O3/c21-10-13(11-4-2-1-3-5-11)20-15-14(16(22)17(15)23)19-12-6-8-18-9-7-12/h1-9,13,20-21H,10H2,(H,18,19)