5-tert-butyl-8-chloranyl-3,7-dipyridin-2-yl-1,2,4-triazabicyclo[5.2.0]nona-3,5-dien-9-one

Systemtic Name: 5-tert-butyl-8-chloranyl-3,7-dipyridin-2-yl-1,2,4-triazabicyclo[5.2.0]nona-3,5-dien-9-one Openeye Name: 5-tert-butyl-8-chloro-3,7-bis(2-pyridyl)-1,2,4-triazabicyclo[5.2.0]nona-3,5-dien-9-one CAS Name: 5-tert-butyl-8-chloro-3,7-bis(2-pyridinyl)-1,2,4-triazabicyclo[5.2.0]nona-3,5-dien-9-one IUPAC Name: 5-tert-butyl-8-chloro-3,7-dipyridin-2-yl-1,2,4-triazabicyclo[5.2.0]nona-3,5-dien-9-one Traditional Name: 5-tert-butyl-8-chloro-3,7-bis(2-pyridyl)-1,2,4-triazabicyclo[5.2.0]nona-3,5-dien-9-one Formula: C20H20ClN5O MolecularWeight: 381.8587

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2(C(C(=O)N2NC(=N1)C3=CC=CC=N3)Cl)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)C1=CC2(C(C(=O)N2NC(=N1)C3=CC=CC=N3)Cl)C4=CC=CC=N4

InChI

InChI=1S/C20H20ClN5O/c1-19(2,3)15-12-20(14-9-5-7-11-23-14)16(21)18(27)26(20)25-17(24-15)13-8-4-6-10-22-13/h4-12,16H,1-3H3,(H,24,25)