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

Systemtic Name: 1-(2-oxidanylidenehexyl)-5-(1,2,3-triazol-2-yl)-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(2-oxohexyl)-5-(triazol-2-yl)-3H-1,4-benzodiazepin-2-one CAS Name: 1-(2-oxohexyl)-5-(2-triazolyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(2-oxohexyl)-5-(triazol-2-yl)-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(2-ketohexyl)-5-(triazol-2-yl)-3H-1,4-benzodiazepin-2-one Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CN1C(=O)CN=C(C2=CC=CC=C21)N3N=CC=N3

Isomeric SMILES

CCCCC(=O)CN1C(=O)CN=C(C2=CC=CC=C21)N3N=CC=N3

InChI

InChI=1S/C17H19N5O2/c1-2-3-6-13(23)12-21-15-8-5-4-7-14(15)17(18-11-16(21)24)22-19-9-10-20-22/h4-5,7-10H,2-3,6,11-12H2,1H3