[5-(bromomethyl)-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid

Systemtic Name: [5-(bromomethyl)-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid Openeye Name: [5-(bromomethyl)-2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid CAS Name: [5-(bromomethyl)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3H-1,4-benzodiazepin-3-yl]carbamic acid IUPAC Name: [5-(bromomethyl)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid Traditional Name: [5-(bromomethyl)-2-keto-1-(2-keto-2-pyrrolidino-ethyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid Formula: C17H19BrN4O4 MolecularWeight: 423.26116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)O)CBr

Isomeric SMILES

C1CCN(C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)O)CBr

InChI

InChI=1S/C17H19BrN4O4/c18-9-12-11-5-1-2-6-13(11)22(10-14(23)21-7-3-4-8-21)16(24)15(19-12)20-17(25)26/h1-2,5-6,15,20H,3-4,7-10H2,(H,25,26)