N'-[1-[2-(1H-imidazol-5-yl)ethylamino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-methyl-pentanediamide

Systemtic Name: N'-[1-[2-(1H-imidazol-5-yl)ethylamino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-methyl-pentanediamide Openeye Name: N'-[1-[(4-benzyloxyphenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxo-ethyl]-2-methyl-pentanediamide CAS Name: N'-[1-[2-(1H-imidazol-5-yl)ethylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-methylpentanediamide IUPAC Name: N'-[1-[2-(1H-imidazol-5-yl)ethylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-methylpentanediamide Traditional Name: N'-[1-(4-benzoxybenzyl)-2-[2-(1H-imidazol-5-yl)ethylamino]-2-keto-ethyl]-2-methyl-glutaramide Formula: C27H33N5O4 MolecularWeight: 491.58202

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCC3=CN=CN3)C(=O)N

Isomeric SMILES

CC(CCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCC3=CN=CN3)C(=O)N

InChI

InChI=1S/C27H33N5O4/c1-19(26(28)34)7-12-25(33)32-24(27(35)30-14-13-22-16-29-18-31-22)15-20-8-10-23(11-9-20)36-17-21-5-3-2-4-6-21/h2-6,8-11,16,18-19,24H,7,12-15,17H2,1H3,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)