(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methyl-6-phenyl-pyrimidin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methyl-6-phenyl-pyrimidin-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methyl-6-phenyl-pyrimidin-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methyl-6-phenyl-2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methyl-6-phenylpyrimidin-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-methyl-6-phenyl-pyrimidin-2-yl)-N-piperonyl-nipecotamide Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)N3CCCC(C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)N3CCC[C@@H](C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26N4O3/c1-17-12-21(19-6-3-2-4-7-19)28-25(27-17)29-11-5-8-20(15-29)24(30)26-14-18-9-10-22-23(13-18)32-16-31-22/h2-4,6-7,9-10,12-13,20H,5,8,11,14-16H2,1H3,(H,26,30)/t20-/m0/s1