1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone

Systemtic Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone Openeye Name: 2-(4-benzyloxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone IUPAC Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone Traditional Name: 2-(4-benzoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-27-15-12-26-24(27)19-28-13-5-14-29(17-16-28)25(30)18-21-8-10-23(11-9-21)31-20-22-6-3-2-4-7-22/h2-4,6-12,15H,5,13-14,16-20H2,1H3