2-[4-(3-imidazol-1-ylphenyl)-8-iodanyl-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-7-yl]ethanenitrile

Systemtic Name: 2-[4-(3-imidazol-1-ylphenyl)-8-iodanyl-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-7-yl]ethanenitrile Openeye Name: 2-[4-(3-imidazol-1-ylphenyl)-8-iodo-2-oxo-1,3-dihydro-1,5-benzodiazepin-7-yl]acetonitrile CAS Name: 2-[4-[3-(1-imidazolyl)phenyl]-8-iodo-2-oxo-1,3-dihydro-1,5-benzodiazepin-7-yl]acetonitrile IUPAC Name: 2-[4-(3-imidazol-1-ylphenyl)-8-iodo-2-oxo-1,3-dihydro-1,5-benzodiazepin-7-yl]acetonitrile Traditional Name: 2-[4-(3-imidazol-1-ylphenyl)-8-iodo-2-keto-1,3-dihydro-1,5-benzodiazepin-7-yl]acetonitrile Formula: C20H14IN5O MolecularWeight: 467.26253

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C(=C2)CC#N)I)NC1=O)C3=CC(=CC=C3)N4C=CN=C4

Isomeric SMILES

C1C(=NC2=C(C=C(C(=C2)CC#N)I)NC1=O)C3=CC(=CC=C3)N4C=CN=C4

InChI

InChI=1S/C20H14IN5O/c21-16-10-19-18(9-13(16)4-5-22)24-17(11-20(27)25-19)14-2-1-3-15(8-14)26-7-6-23-12-26/h1-3,6-10,12H,4,11H2,(H,25,27)