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

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxy-propan-1-one Openeye Name: 2-phenoxy-1-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxy-1-propanone IUPAC Name: 1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]-2-phenoxy-propan-1-one Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(C)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(C)OC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-18-9-11-20(12-10-18)17-23-13-6-14-24(16-15-23)22(25)19(2)26-21-7-4-3-5-8-21/h3-5,7-12,19H,6,13-17H2,1-2H3