[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone

Systemtic Name: [(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone Openeye Name: [(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidyl]-[3-(3-thienyl)-1H-pyrazol-5-yl]methanone CAS Name: [(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidinyl]-[3-(3-thiophenyl)-1H-pyrazol-5-yl]methanone IUPAC Name: [(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone Traditional Name: [(3S)-3-(1,3-benzodioxol-5-ylamino)piperidino]-[3-(3-thienyl)-1H-pyrazol-5-yl]methanone Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=NN2)C3=CSC=C3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC(=NN2)C3=CSC=C3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H20N4O3S/c25-20(17-9-16(22-23-17)13-5-7-28-11-13)24-6-1-2-15(10-24)21-14-3-4-18-19(8-14)27-12-26-18/h3-5,7-9,11,15,21H,1-2,6,10,12H2,(H,22,23)/t15-/m0/s1