2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-2-carboxamide

Systemtic Name: 2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-2-carboxamide Openeye Name: 2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-2-carboxamide CAS Name: 2-(aminomethyl)-1-[2-(1-imidazolyl)-4-pyrimidinyl]-N-(4-methoxyphenyl)-2-piperidinecarboxamide IUPAC Name: 2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperidine-2-carboxamide Traditional Name: 2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-N-(4-methoxyphenyl)pipecolinamide Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N7O2/c1-30-17-6-4-16(5-7-17)25-19(29)21(14-22)9-2-3-12-28(21)18-8-10-24-20(26-18)27-13-11-23-15-27/h4-8,10-11,13,15H,2-3,9,12,14,22H2,1H3,(H,25,29)