7-bromanyl-5-(3,4,5,6-tetradeuteriopyridin-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-5-(3,4,5,6-tetradeuteriopyridin-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-5-(3,4,5,6-tetradeuterio-2-pyridyl)-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 7-bromo-5-(3,4,5,6-tetradeuterio-2-pyridinyl)-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-5-(3,4,5,6-tetradeuteriopyridin-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-5-(3,4,5,6-tetradeuterio-2-pyridyl)-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C14H10BrN3O MolecularWeight: 320.177347

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3

Isomeric SMILES

[2H]C1=C(C(=NC(=C1[2H])C2=NCC(=O)NC3=C2C=C(C=C3)Br)[2H])[2H]

InChI

InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)/i1D,2D,3D,6D