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

Systemtic Name: 3-chloranyl-4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzenecarbonitrile Openeye Name: 3-chloro-4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzonitrile CAS Name: 3-chloro-4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzonitrile IUPAC Name: 3-chloro-4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzonitrile Traditional Name: 3-chloro-4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzonitrile Formula: C28H26ClN5O2S MolecularWeight: 532.05634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26ClN5O2S/c29-26-14-22(15-30)11-13-28(26)37(35,36)33-17-23-8-4-5-9-27(23)34(18-24-16-31-20-32-24)25(19-33)12-10-21-6-2-1-3-7-21/h1-9,11,13-14,16,20,25H,10,12,17-19H2,(H,31,32)