2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-(2-methylpyrazol-3-yl)methylideneamino]ethanamide

Systemtic Name: 2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-(2-methylpyrazol-3-yl)methylideneamino]ethanamide Openeye Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-(2-methylpyrazol-3-yl)methyleneamino]acetamide CAS Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-(2-methyl-3-pyrazolyl)methylideneamino]acetamide IUPAC Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-(2-methylpyrazol-3-yl)methylideneamino]acetamide Traditional Name: 2-(7-bromo-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-(2-methylpyrazol-3-yl)methyleneamino]acetamide Formula: C22H19BrN6O2 MolecularWeight: 479.32926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C=NNC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CN1C(=CC=N1)/C=N/NC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H19BrN6O2/c1-28-17(9-10-26-28)12-25-27-20(30)14-29-19-8-7-16(23)11-18(19)22(24-13-21(29)31)15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,27,30)/b25-12+