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

Systemtic Name: N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]pyridine-4-carboxamide Openeye Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]pyridine-4-carboxamide CAS Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-4-pyridinecarboxamide IUPAC Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]pyridine-4-carboxamide Traditional Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]isonicotinamide Formula: C20H17IN4O MolecularWeight: 456.27965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17IN4O/c1-3-18-23-19(24-20(26)15-8-10-22-11-9-15)17-7-5-4-6-16(17)13-25(18)12-14(2)21/h3-12H,1,13H2,2H3/b14-12+,24-19?