N-(2-bromanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3,4,5-trimethoxy-benzamide

Systemtic Name: N-(2-bromanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3,4,5-trimethoxy-benzamide Openeye Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3,4,5-trimethoxy-benzamide CAS Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3,4,5-trimethoxybenzamide IUPAC Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3,4,5-trimethoxybenzamide Traditional Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3,4,5-trimethoxy-benzamide Formula: C23H20BrN3O4 MolecularWeight: 482.3266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)Br

InChI

InChI=1S/C23H20BrN3O4/c1-29-18-10-15(11-19(30-2)21(18)31-3)23(28)26-22-17-7-5-4-6-14(17)12-27-13-16(24)8-9-20(27)25-22/h4-11,13H,12H2,1-3H3