4-(furan-2-ylcarbonyl)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-(furan-2-ylcarbonyl)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(furan-2-carbonyl)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-[2-furanyl(oxo)methyl]-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(furan-2-carbonyl)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-(2-furoyl)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C26H23N5O2 MolecularWeight: 437.49312

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)C(=O)C4=CC=CO4)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)C(=O)C4=CC=CO4)CC5=CC=CC=C5

InChI

InChI=1S/C26H23N5O2/c27-13-20-8-9-24-21(11-20)15-31(26(32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-30(24)16-22-14-28-18-29-22/h1-11,14,18,23H,12,15-17H2,(H,28,29)