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

Systemtic Name: N'-[1-(1,4-diazepan-1-yl)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-methyl-pentanediamide Openeye Name: N'-[1-[(4-benzyloxyphenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxo-ethyl]-2-methyl-pentanediamide CAS Name: N'-[1-(1,4-diazepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-methylpentanediamide IUPAC Name: N'-[1-(1,4-diazepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-methylpentanediamide Traditional Name: N'-[1-(4-benzoxybenzyl)-2-(1,4-diazepan-1-yl)-2-keto-ethyl]-2-methyl-glutaramide Formula: C27H36N4O4 MolecularWeight: 480.59914

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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)N3CCCNCC3)C(=O)N

Isomeric SMILES

CC(CCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCCNCC3)C(=O)N

InChI

InChI=1S/C27H36N4O4/c1-20(26(28)33)8-13-25(32)30-24(27(34)31-16-5-14-29-15-17-31)18-21-9-11-23(12-10-21)35-19-22-6-3-2-4-7-22/h2-4,6-7,9-12,20,24,29H,5,8,13-19H2,1H3,(H2,28,33)(H,30,32)