1-(4-bromanyl-2-chloranyl-phenyl)-3-[(3S)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-[(3S)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-[(3S)-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea Formula: C22H16BrClN4O2 MolecularWeight: 483.74504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)NC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=N[C@@H](C(=O)NC3=CC=CC=C32)NC(=O)NC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C22H16BrClN4O2/c23-14-10-11-18(16(24)12-14)26-22(30)28-20-21(29)25-17-9-5-4-8-15(17)19(27-20)13-6-2-1-3-7-13/h1-12,20H,(H,25,29)(H2,26,28,30)/t20-/m1/s1