N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1,3-diphenyl-pyrazole-4-carboxamide

Systemtic Name: N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1,3-diphenyl-pyrazole-4-carboxamide Formula: C29H20IN5O MolecularWeight: 581.40647

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)N=C6N1C=C(C=C6)I

Isomeric SMILES

C1C2=CC=CC=C2C(=NC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)N=C6N1C=C(C=C6)I

InChI

InChI=1S/C29H20IN5O/c30-22-15-16-26-31-28(24-14-8-7-11-21(24)17-34(26)18-22)32-29(36)25-19-35(23-12-5-2-6-13-23)33-27(25)20-9-3-1-4-10-20/h1-16,18-19H,17H2