4-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: 4-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: 4-(3-methoxyphenyl)-N-(4-morpholinophenyl)-1-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: 4-(3-methoxyphenyl)-N-[4-(4-morpholinyl)phenyl]-1-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: 4-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: 4-(3-methoxyphenyl)-N-(4-morpholinophenyl)-1-(2-pyrimidyl)isonipecotamide Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)C(=O)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)C(=O)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C27H31N5O3/c1-34-24-5-2-4-21(20-24)27(10-14-32(15-11-27)26-28-12-3-13-29-26)25(33)30-22-6-8-23(9-7-22)31-16-18-35-19-17-31/h2-9,12-13,20H,10-11,14-19H2,1H3,(H,30,33)