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

Systemtic Name: N'-[1-(3-imidazol-1-ylpropylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-methyl-pentanediamide Openeye Name: N'-[1-[(4-benzyloxyphenyl)methyl]-2-(3-imidazol-1-ylpropylamino)-2-oxo-ethyl]-2-methyl-pentanediamide CAS Name: N'-[1-[3-(1-imidazolyl)propylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-methylpentanediamide IUPAC Name: N'-[1-(3-imidazol-1-ylpropylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-methylpentanediamide Traditional Name: N'-[1-(4-benzoxybenzyl)-2-(3-imidazol-1-ylpropylamino)-2-keto-ethyl]-2-methyl-glutaramide Formula: C28H35N5O4 MolecularWeight: 505.6086

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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)NCCCN3C=CN=C3)C(=O)N

Isomeric SMILES

CC(CCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCCN3C=CN=C3)C(=O)N

InChI

InChI=1S/C28H35N5O4/c1-21(27(29)35)8-13-26(34)32-25(28(36)31-14-5-16-33-17-15-30-20-33)18-22-9-11-24(12-10-22)37-19-23-6-3-2-4-7-23/h2-4,6-7,9-12,15,17,20-21,25H,5,8,13-14,16,18-19H2,1H3,(H2,29,35)(H,31,36)(H,32,34)