(3E)-3-hydroxyimino-1-(2-oxidanylidene-2-pyridin-3-yl-ethyl)-5-phenyl-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-3-hydroxyimino-1-(2-oxidanylidene-2-pyridin-3-yl-ethyl)-5-phenyl-1,4-benzodiazepin-2-one Openeye Name: (3E)-3-hydroxyimino-1-[2-oxo-2-(3-pyridyl)ethyl]-5-phenyl-1,4-benzodiazepin-2-one CAS Name: (3E)-3-hydroxyimino-1-[2-oxo-2-(3-pyridinyl)ethyl]-5-phenyl-1,4-benzodiazepin-2-one IUPAC Name: (3E)-3-hydroxyimino-1-(2-oxo-2-pyridin-3-ylethyl)-5-phenyl-1,4-benzodiazepin-2-one Traditional Name: (3E)-3-hydroximino-1-[2-keto-2-(3-pyridyl)ethyl]-5-phenyl-1,4-benzodiazepin-2-one Formula: C22H16N4O3 MolecularWeight: 384.38744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NO)C(=O)N(C3=CC=CC=C32)CC(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=N/C(=N/O)/C(=O)N(C3=CC=CC=C32)CC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H16N4O3/c27-19(16-9-6-12-23-13-16)14-26-18-11-5-4-10-17(18)20(15-7-2-1-3-8-15)24-21(25-29)22(26)28/h1-13,29H,14H2/b25-21+