5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-iodanyl-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-iodanyl-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 5-(3,5-dimethylisoxazol-4-yl)-7-iodo-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 5-(3,5-dimethyl-4-isoxazolyl)-7-iodo-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-iodo-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 5-(3,5-dimethylisoxazol-4-yl)-7-iodo-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C14H12IN3O2 MolecularWeight: 381.16845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C2=NCC(=O)NC3=C2C=C(C=C3)I

Isomeric SMILES

CC1=C(C(=NO1)C)C2=NCC(=O)NC3=C2C=C(C=C3)I

InChI

InChI=1S/C14H12IN3O2/c1-7-13(8(2)20-18-7)14-10-5-9(15)3-4-11(10)17-12(19)6-16-14/h3-5H,6H2,1-2H3,(H,17,19)