1-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-(3,4-dimethylbenzyl)-1,4-diazepan-1-yl]-2,2-diphenyl-ethanone Formula: C28H32N2O MolecularWeight: 412.56648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H32N2O/c1-22-14-15-24(20-23(22)2)21-29-16-9-17-30(19-18-29)28(31)27(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-15,20,27H,9,16-19,21H2,1-2H3