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

Systemtic Name: 2-[[5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]carbamoylamino]ethyl ethanoate Openeye Name: 2-[[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]carbamoylamino]ethyl acetate CAS Name: acetic acid 2-[[[[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]amino]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]carbamoylamino]ethyl acetate Traditional Name: acetic acid 2-[[5-(2-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-7-yl]carbamoylamino]ethyl ester Formula: C21H21FN4O4 MolecularWeight: 412.414243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCNC(=O)NC1=CC2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C

Isomeric SMILES

CC(=O)OCCNC(=O)NC1=CC2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C

InChI

InChI=1S/C21H21FN4O4/c1-13(27)30-10-9-23-21(29)25-14-7-8-18-16(11-14)20(24-12-19(28)26(18)2)15-5-3-4-6-17(15)22/h3-8,11H,9-10,12H2,1-2H3,(H2,23,25,29)