1-(2-oxidanylidenehexyl)-5-(1H-pyrazol-5-yl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-(2-oxidanylidenehexyl)-5-(1H-pyrazol-5-yl)-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(2-oxohexyl)-5-(1H-pyrazol-5-yl)-3H-1,4-benzodiazepin-2-one CAS Name: 1-(2-oxohexyl)-5-(1H-pyrazol-5-yl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(2-oxohexyl)-5-(1H-pyrazol-5-yl)-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(2-ketohexyl)-5-(1H-pyrazol-5-yl)-3H-1,4-benzodiazepin-2-one Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=NN3

Isomeric SMILES

CCCCC(=O)CN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=NN3

InChI

InChI=1S/C18H20N4O2/c1-2-3-6-13(23)12-22-16-8-5-4-7-14(16)18(19-11-17(22)24)15-9-10-20-21-15/h4-5,7-10H,2-3,6,11-12H2,1H3,(H,20,21)