2-(1H-imidazol-5-yl)-N,N-dimethyl-2-[4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]ethanamine

Systemtic Name: 2-(1H-imidazol-5-yl)-N,N-dimethyl-2-[4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]ethanamine Openeye Name: 2-(3-benzyl-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)-N,N-dimethyl-ethanamine CAS Name: 2-(1H-imidazol-5-yl)-N,N-dimethyl-2-[4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]ethanamine IUPAC Name: 2-(3-benzyl-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)-N,N-dimethylethanamine Traditional Name: [2-(3-benzyl-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)ethyl]-dimethyl-amine Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C1=CN=CN1)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C)CC4=CC=CC=C4

Isomeric SMILES

CN(C)CC(C1=CN=CN1)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N5O2S/c1-27(2)17-24(22-14-25-18-26-22)28-16-21(13-19-9-5-4-6-10-19)29(32(3,30)31)15-20-11-7-8-12-23(20)28/h4-12,14,18,21,24H,13,15-17H2,1-3H3,(H,25,26)