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

Systemtic Name: N-[3-[4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]piperidine-4-carboxamide Openeye Name: N-[3-[4-[3-(hydroxymethyl)phenyl]-6-morpholino-pyrimidin-2-yl]phenyl]piperidine-4-carboxamide CAS Name: N-[3-[4-[3-(hydroxymethyl)phenyl]-6-(4-morpholinyl)-2-pyrimidinyl]phenyl]-4-piperidinecarboxamide IUPAC Name: N-[3-[4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]piperidine-4-carboxamide Traditional Name: N-[3-[4-(3-methylolphenyl)-6-morpholino-pyrimidin-2-yl]phenyl]isonipecotamide Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)NC2=CC=CC(=C2)C3=NC(=CC(=N3)N4CCOCC4)C5=CC(=CC=C5)CO

Isomeric SMILES

C1CNCCC1C(=O)NC2=CC=CC(=C2)C3=NC(=CC(=N3)N4CCOCC4)C5=CC(=CC=C5)CO

InChI

InChI=1S/C27H31N5O3/c33-18-19-3-1-4-21(15-19)24-17-25(32-11-13-35-14-12-32)31-26(30-24)22-5-2-6-23(16-22)29-27(34)20-7-9-28-10-8-20/h1-6,15-17,20,28,33H,7-14,18H2,(H,29,34)