(1E)-1-(2-bromanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-phenyl-urea

Systemtic Name: (1E)-1-(2-bromanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-phenyl-urea Openeye Name: (1E)-1-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-phenyl-urea CAS Name: (1E)-1-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-phenylurea IUPAC Name: (1E)-1-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-phenylurea Traditional Name: (1E)-1-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-phenyl-urea Formula: C20H15BrN4O MolecularWeight: 407.2633

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NC(=O)NC3=CC=CC=C3)N=C4N1C=C(C=C4)Br

Isomeric SMILES

C1C2=CC=CC=C2/C(=N\C(=O)NC3=CC=CC=C3)/N=C4N1C=C(C=C4)Br

InChI

InChI=1S/C20H15BrN4O/c21-15-10-11-18-23-19(24-20(26)22-16-7-2-1-3-8-16)17-9-5-4-6-14(17)12-25(18)13-15/h1-11,13H,12H2,(H,22,26)/b24-19+