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

Systemtic Name: 1-tert-butyl-3-[5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]urea Openeye Name: 1-tert-butyl-3-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea CAS Name: 1-tert-butyl-3-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea IUPAC Name: 1-tert-butyl-3-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea Traditional Name: 1-tert-butyl-3-[5-(2-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-7-yl]urea Formula: C21H23FN4O2 MolecularWeight: 382.431323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O2/c1-21(2,3)25-20(28)24-13-9-10-17-15(11-13)19(23-12-18(27)26(17)4)14-7-5-6-8-16(14)22/h5-11H,12H2,1-4H3,(H2,24,25,28)