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

Systemtic Name: 1-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenylethanone Traditional Name: 1-(4-m-anisyl-1,4-diazepan-1-yl)-2,2-diphenyl-ethanone Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c1-31-25-15-8-10-22(20-25)21-28-16-9-17-29(19-18-28)27(30)26(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-8,10-15,20,26H,9,16-19,21H2,1H3