1-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxy-propan-1-one

Systemtic Name: 1-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxy-1-propanone IUPAC Name: 1-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[4-(4-tert-butylbenzyl)-1,4-diazepan-1-yl]-2-phenoxy-propan-1-one Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)C(C)(C)C)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)C(C)(C)C)OC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O2/c1-20(29-23-9-6-5-7-10-23)24(28)27-16-8-15-26(17-18-27)19-21-11-13-22(14-12-21)25(2,3)4/h5-7,9-14,20H,8,15-19H2,1-4H3