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

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenyl-ethanone Openeye Name: 2,2-diphenyl-1-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]-2,2-diphenyl-ethanone Formula: C27H30N2O MolecularWeight: 398.5399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O/c1-22-13-15-23(16-14-22)21-28-17-8-18-29(20-19-28)27(30)26(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-16,26H,8,17-21H2,1H3