N-[5-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-pyrimidin-4-yl]-2-methyl-phenyl]piperidine-4-carboxamide

Systemtic Name: N-[5-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-pyrimidin-4-yl]-2-methyl-phenyl]piperidine-4-carboxamide Openeye Name: N-[5-[2-[3-(hydroxymethyl)phenyl]-6-morpholino-pyrimidin-4-yl]-2-methyl-phenyl]piperidine-4-carboxamide CAS Name: N-[5-[2-[3-(hydroxymethyl)phenyl]-6-(4-morpholinyl)-4-pyrimidinyl]-2-methylphenyl]-4-piperidinecarboxamide IUPAC Name: N-[5-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-2-methylphenyl]piperidine-4-carboxamide Traditional Name: N-[2-methyl-5-[2-(3-methylolphenyl)-6-morpholino-pyrimidin-4-yl]phenyl]isonipecotamide Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NC(=N2)C3=CC(=CC=C3)CO)N4CCOCC4)NC(=O)C5CCNCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NC(=N2)C3=CC(=CC=C3)CO)N4CCOCC4)NC(=O)C5CCNCC5

InChI

InChI=1S/C28H33N5O3/c1-19-5-6-22(16-24(19)31-28(35)21-7-9-29-10-8-21)25-17-26(33-11-13-36-14-12-33)32-27(30-25)23-4-2-3-20(15-23)18-34/h2-6,15-17,21,29,34H,7-14,18H2,1H3,(H,31,35)