[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone CAS Name: [4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone IUPAC Name: [4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone Traditional Name: [4-(3,4-dimethylbenzyl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone Formula: C22H28N2O2 MolecularWeight: 352.46992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-17-8-9-19(14-18(17)2)16-23-10-5-11-24(13-12-23)22(25)20-6-4-7-21(15-20)26-3/h4,6-9,14-15H,5,10-13,16H2,1-3H3