4-phenylmethoxy-1-[4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 4-phenylmethoxy-1-[4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]butan-1-one Openeye Name: 1-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-4-benzyloxy-butan-1-one CAS Name: 4-phenylmethoxy-1-[4-[[1-(phenylmethyl)-2-imidazolyl]methyl]-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 1-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-4-phenylmethoxybutan-1-one Traditional Name: 4-benzoxy-1-[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]butan-1-one Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCOCC2=CC=CC=C2)CC3=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCOCC2=CC=CC=C2)CC3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c32-27(13-7-20-33-23-25-11-5-2-6-12-25)30-16-8-15-29(18-19-30)22-26-28-14-17-31(26)21-24-9-3-1-4-10-24/h1-6,9-12,14,17H,7-8,13,15-16,18-23H2