(3S)-N-(2,5-diethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2,5-diethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-(2,5-diethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-(2,5-diethoxyphenyl)-1-(4,6-dimethyl-2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2,5-diethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-(2,5-diethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)nipecotamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2CCCN(C2)C3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)[C@H]2CCCN(C2)C3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H30N4O3/c1-5-28-18-9-10-20(29-6-2)19(13-18)25-21(27)17-8-7-11-26(14-17)22-23-15(3)12-16(4)24-22/h9-10,12-13,17H,5-8,11,14H2,1-4H3,(H,25,27)/t17-/m0/s1