methyl 5-[[4-[(2-iodanylphenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(2-iodanylphenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(2-iodophenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(2-iodoanilino)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(2-iodophenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(2-iodophenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H22IN3O4 MolecularWeight: 483.30015

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3I

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C19H22IN3O4/c1-26-18(24)17-8-7-14(27-17)13-22-9-4-10-23(12-11-22)19(25)21-16-6-3-2-5-15(16)20/h2-3,5-8H,4,9-13H2,1H3,(H,21,25)