4-(2-dimethylaminoethylsulfonyl)-1-(1,2-oxazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-(2-dimethylaminoethylsulfonyl)-1-(1,2-oxazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(2-dimethylaminoethylsulfonyl)-1-(isoxazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(2-dimethylaminoethylsulfonyl)-1-(5-isoxazolylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(2-dimethylaminoethylsulfonyl)-1-(1,2-oxazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-(2-dimethylaminoethylsulfonyl)-1-(isoxazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CC=NO4

Isomeric SMILES

CN(C)CCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CC4=CC=NO4

InChI

InChI=1S/C25H29N5O3S/c1-28(2)12-13-34(31,32)30-17-22-14-21(16-26)8-9-25(22)29(19-24-10-11-27-33-24)18-23(30)15-20-6-4-3-5-7-20/h3-11,14,23H,12-13,15,17-19H2,1-2H3