3-(2,5-dimethoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(2,5-dimethoxyphenyl)-1-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(2,5-dimethoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(2,5-dimethoxyphenyl)-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(2,5-dimethoxyphenyl)-1-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]propan-1-one Formula: C24H32N2O3 MolecularWeight: 396.52248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C24H32N2O3/c1-19-5-7-20(8-6-19)18-25-13-4-14-26(16-15-25)24(27)12-9-21-17-22(28-2)10-11-23(21)29-3/h5-8,10-11,17H,4,9,12-16,18H2,1-3H3