3-(1H-imidazol-5-yl)-N,N-dimethyl-3-[4-methylsulfonyl-3-(phenylmethyl)-5H-1,4-benzodiazepin-1-yl]propan-1-amine

Systemtic Name: 3-(1H-imidazol-5-yl)-N,N-dimethyl-3-[4-methylsulfonyl-3-(phenylmethyl)-5H-1,4-benzodiazepin-1-yl]propan-1-amine Openeye Name: 3-(3-benzyl-4-methylsulfonyl-5H-1,4-benzodiazepin-1-yl)-3-(1H-imidazol-5-yl)-N,N-dimethyl-propan-1-amine CAS Name: 3-(1H-imidazol-5-yl)-N,N-dimethyl-3-[4-methylsulfonyl-3-(phenylmethyl)-5H-1,4-benzodiazepin-1-yl]-1-propanamine IUPAC Name: 3-(3-benzyl-4-methylsulfonyl-5H-1,4-benzodiazepin-1-yl)-3-(1H-imidazol-5-yl)-N,N-dimethylpropan-1-amine Traditional Name: [3-(3-benzyl-4-mesyl-5H-1,4-benzodiazepin-1-yl)-3-(1H-imidazol-5-yl)propyl]-dimethyl-amine Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CN=CN1)N2C=C(N(CC3=CC=CC=C32)S(=O)(=O)C)CC4=CC=CC=C4

Isomeric SMILES

CN(C)CCC(C1=CN=CN1)N2C=C(N(CC3=CC=CC=C32)S(=O)(=O)C)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O2S/c1-28(2)14-13-25(23-16-26-19-27-23)29-18-22(15-20-9-5-4-6-10-20)30(33(3,31)32)17-21-11-7-8-12-24(21)29/h4-12,16,18-19,25H,13-15,17H2,1-3H3,(H,26,27)