(3S)-1-(1,3-benzodioxol-4-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-N-[3-(1-pyrazolyl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-N-(3-pyrazol-1-ylphenyl)nipecotamide Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C3C(=CC=C2)OCO3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=C3C(=CC=C2)OCO3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

InChI

InChI=1S/C23H24N4O3/c28-23(25-19-7-2-8-20(13-19)27-12-4-10-24-27)18-6-3-11-26(15-18)14-17-5-1-9-21-22(17)30-16-29-21/h1-2,4-5,7-10,12-13,18H,3,6,11,14-16H2,(H,25,28)/t18-/m0/s1