(3S)-N-(1,3-benzodioxol-5-yl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(1-phenyl-4-pyrazolyl)methyl]-3-piperidinamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(1-phenylpyrazol-4-yl)methyl]-3-piperidyl]amine Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CN(N=C2)C3=CC=CC=C3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CN(N=C2)C3=CC=CC=C3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N4O2/c1-2-6-20(7-3-1)26-14-17(12-23-26)13-25-10-4-5-19(15-25)24-18-8-9-21-22(11-18)28-16-27-21/h1-3,6-9,11-12,14,19,24H,4-5,10,13,15-16H2/t19-/m0/s1