(3S)-N-(1,3-benzodioxol-5-yl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidinamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-3-piperidyl]amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CN2C3=NC=CC=N3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC=CN2C3=NC=CC=N3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H23N5O2/c1-4-17(24-16-6-7-19-20(12-16)28-15-27-19)13-25(10-1)14-18-5-2-11-26(18)21-22-8-3-9-23-21/h2-3,5-9,11-12,17,24H,1,4,10,13-15H2/t17-/m0/s1