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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-pyrazin-2-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(pyrazine-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-[oxo(2-pyrazinyl)methyl]-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(pyrazine-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-pyrazinoyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C26H23N7O MolecularWeight: 449.50712

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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=NC=CN=C4)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H23N7O/c27-12-20-6-7-25-21(10-20)15-33(26(34)24-14-28-8-9-30-24)23(11-19-4-2-1-3-5-19)17-32(25)16-22-13-29-18-31-22/h1-10,13-14,18,23H,11,15-17H2,(H,29,31)