4-iodanyl-N-(1-methyl-2-oxidanylidene-5-phenyl-5H-1,4-benzodiazepin-3-yl)cyclohex-3-ene-1-carboxamide

Systemtic Name: 4-iodanyl-N-(1-methyl-2-oxidanylidene-5-phenyl-5H-1,4-benzodiazepin-3-yl)cyclohex-3-ene-1-carboxamide Openeye Name: 4-iodo-N-(1-methyl-2-oxo-5-phenyl-5H-1,4-benzodiazepin-3-yl)cyclohex-3-ene-1-carboxamide CAS Name: 4-iodo-N-(1-methyl-2-oxo-5-phenyl-5H-1,4-benzodiazepin-3-yl)-1-cyclohex-3-enecarboxamide IUPAC Name: 4-iodo-N-(1-methyl-2-oxo-5-phenyl-5H-1,4-benzodiazepin-3-yl)cyclohex-3-ene-1-carboxamide Traditional Name: 4-iodo-N-(2-keto-1-methyl-5-phenyl-5H-1,4-benzodiazepin-3-yl)cyclohex-3-ene-1-carboxamide Formula: C23H22IN3O2 MolecularWeight: 499.34415

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(N=C(C1=O)NC(=O)C3CCC(=CC3)I)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(N=C(C1=O)NC(=O)C3CCC(=CC3)I)C4=CC=CC=C4

InChI

InChI=1S/C23H22IN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-10,13,16,20H,11-12,14H2,1H3,(H,25,26,28)