6-chloranyl-N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]pyridine-3-carboxamide

Systemtic Name: 6-chloranyl-N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]pyridine-3-carboxamide CAS Name: 6-chloro-N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]nicotinamide Formula: C20H16ClIN4O MolecularWeight: 490.72471

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CN1CC2=CC=CC=C2C(=NC(=O)C3=CN=C(C=C3)Cl)N=C1C=C)I

Isomeric SMILES

C/C(=C\N1CC2=CC=CC=C2C(=NC(=O)C3=CN=C(C=C3)Cl)N=C1C=C)/I

InChI

InChI=1S/C20H16ClIN4O/c1-3-18-24-19(25-20(27)14-8-9-17(21)23-10-14)16-7-5-4-6-15(16)12-26(18)11-13(2)22/h3-11H,1,12H2,2H3/b13-11+,25-19?