1-tert-butyl-3-[6-chloranyl-5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]urea

Systemtic Name: 1-tert-butyl-3-[6-chloranyl-5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]urea Openeye Name: 1-tert-butyl-3-[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea CAS Name: 1-tert-butyl-3-[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea IUPAC Name: 1-tert-butyl-3-[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea Traditional Name: 1-tert-butyl-3-[6-chloro-5-(2-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-7-yl]urea Formula: C21H22ClFN4O2 MolecularWeight: 416.876383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClFN4O2/c1-21(2,3)26-20(29)25-14-9-10-15-17(18(14)22)19(24-11-16(28)27(15)4)12-7-5-6-8-13(12)23/h5-10H,11H2,1-4H3,(H2,25,26,29)