methyl 5-[[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)CN2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CCC1=NC(=C(N1)C)CN2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C19H28N4O3/c1-4-18-20-14(2)16(21-18)13-23-9-5-8-22(10-11-23)12-15-6-7-17(26-15)19(24)25-3/h6-7H,4-5,8-13H2,1-3H3,(H,20,21)