1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]octan-1-one

Systemtic Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]octan-1-one CAS Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]methyl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]octan-1-one Traditional Name: 1-[4-[[3-(4-isocyanobenzyl)imidazol-4-yl]methyl]piperazino]octan-1-one Formula: C24H33N5O MolecularWeight: 407.55172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)CC2=CN=CN2CC3=CC=C(C=C3)[N+]#[C-]

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)CC2=CN=CN2CC3=CC=C(C=C3)[N+]#[C-]

InChI

InChI=1S/C24H33N5O/c1-3-4-5-6-7-8-24(30)28-15-13-27(14-16-28)19-23-17-26-20-29(23)18-21-9-11-22(25-2)12-10-21/h9-12,17,20H,3-8,13-16,18-19H2,1H3