1-(2-fluorophenyl)-3-[(3S)-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-(2-fluorophenyl)-3-[(3S)-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-(2-fluorophenyl)-3-[(3S)-1-(2-morpholino-2-oxo-ethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(2-fluorophenyl)-3-[(3S)-1-[2-(4-morpholinyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(2-fluorophenyl)-3-[(3S)-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-(2-fluorophenyl)-3-[(3S)-2-keto-1-(2-keto-2-morpholino-ethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Formula: C28H26FN5O4 MolecularWeight: 515.535543

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC=C4F)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C(=O)CN2C3=CC=CC=C3C(=N[C@@H](C2=O)NC(=O)NC4=CC=CC=C4F)C5=CC=CC=C5

InChI

InChI=1S/C28H26FN5O4/c29-21-11-5-6-12-22(21)30-28(37)32-26-27(36)34(18-24(35)33-14-16-38-17-15-33)23-13-7-4-10-20(23)25(31-26)19-8-2-1-3-9-19/h1-13,26H,14-18H2,(H2,30,32,37)/t26-/m1/s1