N,N-diethyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carboxamide

Systemtic Name: N,N-diethyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carboxamide Openeye Name: 3-benzyl-N,N-diethyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carboxamide CAS Name: N,N-diethyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carboxamide IUPAC Name: 3-benzyl-N,N-diethyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carboxamide Traditional Name: 3-benzyl-N,N-diethyl-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carboxamide Formula: C26H33N5O3S MolecularWeight: 495.63692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)N(CC(N(C2)S(=O)(=O)C)CC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)N(CC(N(C2)S(=O)(=O)C)CC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C26H33N5O3S/c1-4-29(5-2)26(32)21-11-12-25-22(14-21)16-31(35(3,33)34)24(13-20-9-7-6-8-10-20)18-30(25)17-23-15-27-19-28-23/h6-12,14-15,19,24H,4-5,13,16-18H2,1-3H3,(H,27,28)