2-[[6-chloranyl-5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]carbamoylamino]ethyl ethanoate

Systemtic Name: 2-[[6-chloranyl-5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]carbamoylamino]ethyl ethanoate Openeye Name: 2-[[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]carbamoylamino]ethyl acetate CAS Name: acetic acid 2-[[[[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]amino]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]carbamoylamino]ethyl acetate Traditional Name: acetic acid 2-[[6-chloro-5-(2-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-7-yl]carbamoylamino]ethyl ester Formula: C21H20ClFN4O4 MolecularWeight: 446.859303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCNC(=O)NC1=C(C2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C)Cl

Isomeric SMILES

CC(=O)OCCNC(=O)NC1=C(C2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C)Cl

InChI

InChI=1S/C21H20ClFN4O4/c1-12(28)31-10-9-24-21(30)26-15-7-8-16-18(19(15)22)20(25-11-17(29)27(16)2)13-5-3-4-6-14(13)23/h3-8H,9-11H2,1-2H3,(H2,24,26,30)