methyl 5-[[4-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(5-methylisoxazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(5-methyl-3-isoxazolyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(5-methylisoxazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C17H21N3O5/c1-12-10-14(18-25-12)16(21)20-7-3-6-19(8-9-20)11-13-4-5-15(24-13)17(22)23-2/h4-5,10H,3,6-9,11H2,1-2H3