[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl] propanoate

Systemtic Name: [7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl] propanoate Openeye Name: [7-chloro-5-(2-fluorophenyl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl] propanoate CAS Name: propanoic acid [7-chloro-5-(2-fluorophenyl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl] ester IUPAC Name: [7-chloro-5-(2-fluorophenyl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl] propanoate Traditional Name: propionic acid [7-chloro-5-(2-fluorophenyl)-2-keto-1-propyl-3H-1,4-benzodiazepin-3-yl] ester Formula: C21H20ClFN2O3 MolecularWeight: 402.846503

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)CC)C3=CC=CC=C3F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)CC)C3=CC=CC=C3F

InChI

InChI=1S/C21H20ClFN2O3/c1-3-11-25-17-10-9-13(22)12-15(17)19(14-7-5-6-8-16(14)23)24-20(21(25)27)28-18(26)4-2/h5-10,12,20H,3-4,11H2,1-2H3