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

Systemtic Name: N-[4-[[4-(3-methyl-3-oxidanyl-pentanoyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(3-hydroxy-3-methyl-pentanoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-(3-hydroxy-3-methyl-1-oxopentyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(3-hydroxy-3-methylpentanoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(3-hydroxy-3-methyl-pentanoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C20H31N3O3 MolecularWeight: 361.47844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)NC(=O)C)O

Isomeric SMILES

CCC(C)(CC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)NC(=O)C)O

InChI

InChI=1S/C20H31N3O3/c1-4-20(3,26)14-19(25)23-11-5-10-22(12-13-23)15-17-6-8-18(9-7-17)21-16(2)24/h6-9,26H,4-5,10-15H2,1-3H3,(H,21,24)