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

Systemtic Name: 4-[4-[[1-(4-tert-butylphenyl)-2-methyl-pentan-3-yl]amino]butyl]-1,4-diazepan-5-one Openeye Name: 4-[4-[[3-(4-tert-butylphenyl)-1-ethyl-2-methyl-propyl]amino]butyl]-1,4-diazepan-5-one CAS Name: 4-[4-[[1-(4-tert-butylphenyl)-2-methylpentan-3-yl]amino]butyl]-1,4-diazepan-5-one IUPAC Name: 4-[4-[[1-(4-tert-butylphenyl)-2-methylpentan-3-yl]amino]butyl]-1,4-diazepan-5-one Traditional Name: 4-[4-[[3-(4-tert-butylphenyl)-1-ethyl-2-methyl-propyl]amino]butyl]-1,4-diazepan-5-one Formula: C25H43N3O MolecularWeight: 401.62842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43N3O/c1-6-23(20(2)19-21-9-11-22(12-10-21)25(3,4)5)27-14-7-8-17-28-18-16-26-15-13-24(28)29/h9-12,20,23,26-27H,6-8,13-19H2,1-5H3