1-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxy-propan-1-one

Systemtic Name: 1-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxy-1-propanone IUPAC Name: 1-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[4-(3,4-dimethylbenzyl)-1,4-diazepan-1-yl]-2-phenoxy-propan-1-one Formula: C23H30N2O2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2/c1-18-10-11-21(16-19(18)2)17-24-12-7-13-25(15-14-24)23(26)20(3)27-22-8-5-4-6-9-22/h4-6,8-11,16,20H,7,12-15,17H2,1-3H3