1-[4-(2-chlorophenyl)-5-isocyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridin-2-yl]pent-4-en-1-one

Systemtic Name: 1-[4-(2-chlorophenyl)-5-isocyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridin-2-yl]pent-4-en-1-one Openeye Name: 1-[4-(2-chlorophenyl)-5-isocyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridin-2-yl]pent-4-en-1-one CAS Name: 1-[4-(2-chlorophenyl)-5-isocyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridin-2-yl]-4-penten-1-one IUPAC Name: 1-[4-(2-chlorophenyl)-5-isocyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridin-2-yl]pent-4-en-1-one Traditional Name: 1-[4-(2-chlorophenyl)-5-isocyano-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridin-2-yl]pent-4-en-1-one Formula: C21H21ClN4O MolecularWeight: 380.87064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C2=CN(NC2=N1)C(=O)CCC=C)C3=CC=CC=C3Cl)[N+]#[C-]

Isomeric SMILES

CCCC1=C(C(C2=CN(NC2=N1)C(=O)CCC=C)C3=CC=CC=C3Cl)[N+]#[C-]

InChI

InChI=1S/C21H21ClN4O/c1-4-6-12-18(27)26-13-15-19(14-10-7-8-11-16(14)22)20(23-3)17(9-5-2)24-21(15)25-26/h4,7-8,10-11,13,19H,1,5-6,9,12H2,2H3,(H,24,25)