N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-(phenylcarbonyl)benzamide

Systemtic Name: N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-(phenylcarbonyl)benzamide Openeye Name: 4-benzoyl-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide CAS Name: 4-benzoyl-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide IUPAC Name: 4-benzoyl-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Traditional Name: 4-benzoyl-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Formula: C27H18IN3O2 MolecularWeight: 543.35519

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)N=C5N1C=C(C=C5)I

Isomeric SMILES

C1C2=CC=CC=C2C(=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)N=C5N1C=C(C=C5)I

InChI

InChI=1S/C27H18IN3O2/c28-22-14-15-24-29-26(23-9-5-4-8-21(23)16-31(24)17-22)30-27(33)20-12-10-19(11-13-20)25(32)18-6-2-1-3-7-18/h1-15,17H,16H2