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

Systemtic Name: N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]pentanamide Openeye Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]pentanamide CAS Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]pentanamide IUPAC Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]pentanamide Traditional Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]valeramide Formula: C19H22IN3O MolecularWeight: 435.30195

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N=C1C2=CC=CC=C2CN(C(=N1)C=C)C=C(C)I

Isomeric SMILES

CCCCC(=O)N=C1C2=CC=CC=C2CN(C(=N1)C=C)/C=C(\C)/I

InChI

InChI=1S/C19H22IN3O/c1-4-6-11-18(24)22-19-16-10-8-7-9-15(16)13-23(12-14(3)20)17(5-2)21-19/h5,7-10,12H,2,4,6,11,13H2,1,3H3/b14-12+,22-19?