2-[4-(3-methyl-3-oxidanyl-pentanoyl)-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-(3-methyl-3-oxidanyl-pentanoyl)-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(3-hydroxy-3-methyl-pentanoyl)-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-(3-hydroxy-3-methyl-1-oxopentyl)-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-(3-hydroxy-3-methylpentanoyl)-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(3-hydroxy-3-methyl-pentanoyl)-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(=O)N1CCCN(CC1)CC(=O)NCCC2=CC=CC=C2)O

Isomeric SMILES

CCC(C)(CC(=O)N1CCCN(CC1)CC(=O)NCCC2=CC=CC=C2)O

InChI

InChI=1S/C21H33N3O3/c1-3-21(2,27)16-20(26)24-13-7-12-23(14-15-24)17-19(25)22-11-10-18-8-5-4-6-9-18/h4-6,8-9,27H,3,7,10-17H2,1-2H3,(H,22,25)