4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-1-phenyl-piperazin-2-one

Systemtic Name: 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-1-phenyl-piperazin-2-one Openeye Name: 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-1-phenyl-piperazin-2-one CAS Name: 4-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]methyl]-1-phenyl-2-piperazinone IUPAC Name: 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-1-phenylpiperazin-2-one Traditional Name: 4-[[3-(4-isocyanobenzyl)imidazol-4-yl]methyl]-1-phenyl-piperazin-2-one Formula: C22H21N5O MolecularWeight: 371.43504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)CN2C=NC=C2CN3CCN(C(=O)C3)C4=CC=CC=C4

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CN2C=NC=C2CN3CCN(C(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O/c1-23-19-9-7-18(8-10-19)14-26-17-24-13-21(26)15-25-11-12-27(22(28)16-25)20-5-3-2-4-6-20/h2-10,13,17H,11-12,14-16H2