1-(3,3-dimethyl-2-oxidanylidene-butyl)-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butyl)-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(3,3-dimethyl-2-oxo-butyl)-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-one CAS Name: 1-(3,3-dimethyl-2-oxobutyl)-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(3,3-dimethyl-2-oxobutyl)-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(2-keto-3,3-dimethyl-butyl)-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-one Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C(=O)CN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=N3

InChI

InChI=1S/C20H21N3O2/c1-20(2,3)17(24)13-23-16-10-5-4-8-14(16)19(22-12-18(23)25)15-9-6-7-11-21-15/h4-11H,12-13H2,1-3H3