3-azanyl-3-[(4-phenylmethoxyphenyl)methyl]-1-(phenylmethyl)azepan-2-one

Systemtic Name: 3-azanyl-3-[(4-phenylmethoxyphenyl)methyl]-1-(phenylmethyl)azepan-2-one Openeye Name: 3-amino-1-benzyl-3-[(4-benzyloxyphenyl)methyl]azepan-2-one CAS Name: 3-amino-3-[(4-phenylmethoxyphenyl)methyl]-1-(phenylmethyl)-2-azepanone IUPAC Name: 3-amino-1-benzyl-3-[(4-phenylmethoxyphenyl)methyl]azepan-2-one Traditional Name: 3-amino-3-(4-benzoxybenzyl)-1-benzyl-azepan-2-one Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)(CC2=CC=C(C=C2)OCC3=CC=CC=C3)N)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C(=O)C(C1)(CC2=CC=C(C=C2)OCC3=CC=CC=C3)N)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c28-27(17-7-8-18-29(26(27)30)20-23-9-3-1-4-10-23)19-22-13-15-25(16-14-22)31-21-24-11-5-2-6-12-24/h1-6,9-16H,7-8,17-21,28H2