N-[2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethyl]-1-phenyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethyl]-1-phenyl-piperidine-4-carboxamide Openeye Name: N-[2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethyl]-1-phenyl-piperidine-4-carboxamide CAS Name: N-[2-[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]ethyl]-1-phenyl-4-piperidinecarboxamide IUPAC Name: N-[2-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]ethyl]-1-phenylpiperidine-4-carboxamide Traditional Name: N-[2-[3-(4-isocyanobenzyl)imidazol-4-yl]ethyl]-1-phenyl-isonipecotamide Formula: C25H27N5O MolecularWeight: 413.51478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)CN2C=NC=C2CCNC(=O)C3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CN2C=NC=C2CCNC(=O)C3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O/c1-26-22-9-7-20(8-10-22)18-30-19-27-17-24(30)11-14-28-25(31)21-12-15-29(16-13-21)23-5-3-2-4-6-23/h2-10,17,19,21H,11-16,18H2,(H,28,31)