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

Systemtic Name: 1-[5-(2-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-7-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea CAS Name: 1-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea Traditional Name: 1-benzyl-3-[5-(2-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-7-yl]urea Formula: C24H21FN4O2 MolecularWeight: 416.447543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)NC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)NC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C24H21FN4O2/c1-29-21-12-11-17(28-24(31)27-14-16-7-3-2-4-8-16)13-19(21)23(26-15-22(29)30)18-9-5-6-10-20(18)25/h2-13H,14-15H2,1H3,(H2,27,28,31)