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

Systemtic Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]decan-1-one Openeye Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]decan-1-one CAS Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]methyl]-1-piperazinyl]-1-decanone IUPAC Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]decan-1-one Traditional Name: 1-[4-[[3-(4-isocyanobenzyl)imidazol-4-yl]methyl]piperazino]decan-1-one Formula: C26H37N5O MolecularWeight: 435.60488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N5O/c1-3-4-5-6-7-8-9-10-26(32)30-17-15-29(16-18-30)21-25-19-28-22-31(25)20-23-11-13-24(27-2)14-12-23/h11-14,19,22H,3-10,15-18,20-21H2,1H3