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

Systemtic Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]methyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[[3-(4-isocyanobenzyl)imidazol-4-yl]methyl]piperazino]heptan-1-one Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O/c1-3-4-5-6-7-23(29)27-14-12-26(13-15-27)18-22-16-25-19-28(22)17-20-8-10-21(24-2)11-9-20/h8-11,16,19H,3-7,12-15,17-18H2,1H3