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

Systemtic Name: 2-chloranyl-N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]benzamide Openeye Name: 2-chloro-N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]benzamide CAS Name: 2-chloro-N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]benzamide IUPAC Name: 2-chloro-N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]benzamide Traditional Name: 2-chloro-N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]benzamide Formula: C21H17ClIN3O MolecularWeight: 489.73665

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CN1CC2=CC=CC=C2C(=NC(=O)C3=CC=CC=C3Cl)N=C1C=C)I

Isomeric SMILES

C/C(=C\N1CC2=CC=CC=C2C(=NC(=O)C3=CC=CC=C3Cl)N=C1C=C)/I

InChI

InChI=1S/C21H17ClIN3O/c1-3-19-24-20(25-21(27)17-10-6-7-11-18(17)22)16-9-5-4-8-15(16)13-26(19)12-14(2)23/h3-12H,1,13H2,2H3/b14-12+,25-20?