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

Systemtic Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]methyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[[3-(4-isocyanobenzyl)imidazol-4-yl]methyl]piperazino]hexan-1-one Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O/c1-3-4-5-6-22(28)26-13-11-25(12-14-26)17-21-15-24-18-27(21)16-19-7-9-20(23-2)10-8-19/h7-10,15,18H,3-6,11-14,16-17H2,1H3