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

Systemtic Name: 2-chloranyl-N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]pyridine-3-carboxamide CAS Name: 2-chloro-N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]pyridine-3-carboxamide Traditional Name: 2-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=C(N=CC=C3)Cl)N=C1C=C)I

Isomeric SMILES

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

InChI

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