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

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3-piperidyl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-3-piperidyl]methanone Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c27-21(16-6-7-19-20(12-16)29-15-28-19)17-4-1-10-25(13-17)14-18-5-2-11-26(18)22-23-8-3-9-24-22/h2-3,5-9,11-12,17H,1,4,10,13-15H2/t17-/m0/s1