4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzenecarbonitrile Openeye Name: 4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzonitrile CAS Name: 4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzonitrile IUPAC Name: 4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzonitrile Traditional Name: 4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzonitrile Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C#N)CC4=CN=CN4)CCC5=CC=CC=C5

Isomeric SMILES

C1C(N(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C#N)CC4=CN=CN4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2S/c29-16-23-11-14-27(15-12-23)36(34,35)32-18-24-8-4-5-9-28(24)33(19-25-17-30-21-31-25)26(20-32)13-10-22-6-2-1-3-7-22/h1-9,11-12,14-15,17,21,26H,10,13,18-20H2,(H,30,31)