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

Systemtic Name: (phenylmethyl) 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)CN2CCCN(CC2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=C(N1)C)CN2CCCN(CC2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O2/c1-3-20-22-17(2)19(23-20)14-24-10-7-11-25(13-12-24)15-21(26)27-16-18-8-5-4-6-9-18/h4-6,8-9H,3,7,10-16H2,1-2H3,(H,22,23)