(3R)-N-(2-azanyl-2-oxidanylidene-ethyl)-1-(2-chloranyl-4-pyrazol-1-yl-phenyl)carbonyl-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

Systemtic Name: (3R)-N-(2-azanyl-2-oxidanylidene-ethyl)-1-(2-chloranyl-4-pyrazol-1-yl-phenyl)carbonyl-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Openeye Name: (3R)-N-(2-amino-2-oxo-ethyl)-1-(2-chloro-4-pyrazol-1-yl-benzoyl)-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide CAS Name: (3R)-N-(2-amino-2-oxoethyl)-1-[[2-chloro-4-(1-pyrazolyl)phenyl]-oxomethyl]-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide IUPAC Name: (3R)-N-(2-amino-2-oxoethyl)-1-(2-chloro-4-pyrazol-1-ylbenzoyl)-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Traditional Name: (3R)-N-(2-amino-2-keto-ethyl)-1-(2-chloro-4-pyrazol-1-yl-benzoyl)-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Formula: C23H23ClN6O3 MolecularWeight: 466.92012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2CN1C(=O)NCC(=O)N)C(=O)C3=C(C=C(C=C3)N4C=CC=N4)Cl

Isomeric SMILES

C[C@@H]1CN(C2=CC=CC=C2CN1C(=O)NCC(=O)N)C(=O)C3=C(C=C(C=C3)N4C=CC=N4)Cl

InChI

InChI=1S/C23H23ClN6O3/c1-15-13-29(22(32)18-8-7-17(11-19(18)24)30-10-4-9-27-30)20-6-3-2-5-16(20)14-28(15)23(33)26-12-21(25)31/h2-11,15H,12-14H2,1H3,(H2,25,31)(H,26,33)/t15-/m1/s1