1-[[3-[(4-isocyanophenyl)methyl]-2-methyl-imidazol-4-yl]methyl]-4-methyl-4-[(3-nitrophenyl)methyl]piperidine

Systemtic Name: 1-[[3-[(4-isocyanophenyl)methyl]-2-methyl-imidazol-4-yl]methyl]-4-methyl-4-[(3-nitrophenyl)methyl]piperidine Openeye Name: 1-[[3-[(4-isocyanophenyl)methyl]-2-methyl-imidazol-4-yl]methyl]-4-methyl-4-[(3-nitrophenyl)methyl]piperidine CAS Name: 1-[[3-[(4-isocyanophenyl)methyl]-2-methyl-4-imidazolyl]methyl]-4-methyl-4-[(3-nitrophenyl)methyl]piperidine IUPAC Name: 1-[[3-[(4-isocyanophenyl)methyl]-2-methylimidazol-4-yl]methyl]-4-methyl-4-[(3-nitrophenyl)methyl]piperidine Traditional Name: 1-[[3-(4-isocyanobenzyl)-2-methyl-imidazol-4-yl]methyl]-4-methyl-4-(3-nitrobenzyl)piperidine Formula: C26H29N5O2 MolecularWeight: 443.54076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC2=CC=C(C=C2)[N+]#[C-])CN3CCC(CC3)(C)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC2=CC=C(C=C2)[N+]#[C-])CN3CCC(CC3)(C)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O2/c1-20-28-17-25(30(20)18-21-7-9-23(27-3)10-8-21)19-29-13-11-26(2,12-14-29)16-22-5-4-6-24(15-22)31(32)33/h4-10,15,17H,11-14,16,18-19H2,1-2H3