ethyl 2-[[1-(2-chloranyl-4-pyrazol-1-yl-phenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[1-(2-chloranyl-4-pyrazol-1-yl-phenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[1-(2-chloro-4-pyrazol-1-yl-benzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]amino]acetate CAS Name: 2-[[[1-[[2-chloro-4-(1-pyrazolyl)phenyl]-oxomethyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-(2-chloro-4-pyrazol-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]amino]acetate Traditional Name: 2-[[1-(2-chloro-4-pyrazol-1-yl-benzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]amino]acetic acid ethyl ester Formula: C24H24ClN5O4 MolecularWeight: 481.93146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCN(C2=CC=CC=C2C1)C(=O)C3=C(C=C(C=C3)N4C=CC=N4)Cl

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCN(C2=CC=CC=C2C1)C(=O)C3=C(C=C(C=C3)N4C=CC=N4)Cl

InChI

InChI=1S/C24H24ClN5O4/c1-2-34-22(31)15-26-24(33)28-12-13-29(21-7-4-3-6-17(21)16-28)23(32)19-9-8-18(14-20(19)25)30-11-5-10-27-30/h3-11,14H,2,12-13,15-16H2,1H3,(H,26,33)