4-[4-[[1-(4-hydroxyphenyl)-2-methyl-pentan-3-yl]amino]butyl]-1,4-diazepan-5-one

Systemtic Name: 4-[4-[[1-(4-hydroxyphenyl)-2-methyl-pentan-3-yl]amino]butyl]-1,4-diazepan-5-one Openeye Name: 4-[4-[[1-ethyl-3-(4-hydroxyphenyl)-2-methyl-propyl]amino]butyl]-1,4-diazepan-5-one CAS Name: 4-[4-[[1-(4-hydroxyphenyl)-2-methylpentan-3-yl]amino]butyl]-1,4-diazepan-5-one IUPAC Name: 4-[4-[[1-(4-hydroxyphenyl)-2-methylpentan-3-yl]amino]butyl]-1,4-diazepan-5-one Traditional Name: 4-[4-[[1-ethyl-3-(4-hydroxyphenyl)-2-methyl-propyl]amino]butyl]-1,4-diazepan-5-one Formula: C21H35N3O2 MolecularWeight: 361.5215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)CC1=CC=C(C=C1)O)NCCCCN2CCNCCC2=O

Isomeric SMILES

CCC(C(C)CC1=CC=C(C=C1)O)NCCCCN2CCNCCC2=O

InChI

InChI=1S/C21H35N3O2/c1-3-20(17(2)16-18-6-8-19(25)9-7-18)23-11-4-5-14-24-15-13-22-12-10-21(24)26/h6-9,17,20,22-23,25H,3-5,10-16H2,1-2H3