1-[2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-2-(4-methoxyphenyl)ethanone

Systemtic Name: 1-[2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-2-(4-methoxyphenyl)ethanone Openeye Name: 1-[2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]-2-(4-methoxyphenyl)ethanone CAS Name: 1-[2-(aminomethyl)-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinyl]-2-(4-methoxyphenyl)ethanone IUPAC Name: 1-[2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-2-(4-methoxyphenyl)ethanone Traditional Name: 1-[2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]-2-(4-methoxyphenyl)ethanone Formula: C22H26N6O2 MolecularWeight: 406.48084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)C2(CCCCN2C3=NC(=NC=C3)N4C=CN=C4)CN

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)C2(CCCCN2C3=NC(=NC=C3)N4C=CN=C4)CN

InChI

InChI=1S/C22H26N6O2/c1-30-18-6-4-17(5-7-18)14-19(29)22(15-23)9-2-3-12-28(22)20-8-10-25-21(26-20)27-13-11-24-16-27/h4-8,10-11,13,16H,2-3,9,12,14-15,23H2,1H3