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

Systemtic Name: 2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-(1-ethylpyrazol-3-yl)methylideneamino]ethanamide Openeye Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-(1-ethylpyrazol-3-yl)methyleneamino]acetamide CAS Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-(1-ethyl-3-pyrazolyl)methylideneamino]acetamide IUPAC Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-(1-ethylpyrazol-3-yl)methylideneamino]acetamide Traditional Name: 2-(7-bromo-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(E)-(1-ethylpyrazol-3-yl)methyleneamino]acetamide Formula: C23H21BrN6O2 MolecularWeight: 493.35584

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C=NNC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCN1C=CC(=N1)/C=N/NC(=O)CN2C(=O)CN=C(C3=C2C=CC(=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H21BrN6O2/c1-2-29-11-10-18(28-29)13-26-27-21(31)15-30-20-9-8-17(24)12-19(20)23(25-14-22(30)32)16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3,(H,27,31)/b26-13+