3-(7-iodanyl-2-oxidanylidene-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile

Systemtic Name: 3-(7-iodanyl-2-oxidanylidene-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile Openeye Name: 3-(7-iodo-2-oxo-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile CAS Name: 3-[7-iodo-2-oxo-8-(1-pyrrolyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-(7-iodo-2-oxo-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile Traditional Name: 3-(7-iodo-2-keto-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile Formula: C20H13IN4O MolecularWeight: 452.24789

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=CC(=C(C=C2NC1=O)N3C=CC=C3)I)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=NC2=CC(=C(C=C2NC1=O)N3C=CC=C3)I)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H13IN4O/c21-15-9-17-18(10-19(15)25-6-1-2-7-25)24-20(26)11-16(23-17)14-5-3-4-13(8-14)12-22/h1-10H,11H2,(H,24,26)