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

Systemtic Name: (3R)-1-(2-chloranyl-4-pyrazol-1-yl-phenyl)carbonyl-N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Openeye Name: (3R)-1-(2-chloro-4-pyrazol-1-yl-benzoyl)-N-[2-(dimethylamino)-2-oxo-ethyl]-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide CAS Name: (3R)-1-[[2-chloro-4-(1-pyrazolyl)phenyl]-oxomethyl]-N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide IUPAC Name: (3R)-1-(2-chloro-4-pyrazol-1-ylbenzoyl)-N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Traditional Name: (3R)-1-(2-chloro-4-pyrazol-1-yl-benzoyl)-N-[2-(dimethylamino)-2-keto-ethyl]-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Formula: C25H27ClN6O3 MolecularWeight: 494.97328

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H27ClN6O3/c1-17-15-31(24(34)20-10-9-19(13-21(20)26)32-12-6-11-28-32)22-8-5-4-7-18(22)16-30(17)25(35)27-14-23(33)29(2)3/h4-13,17H,14-16H2,1-3H3,(H,27,35)/t17-/m1/s1