1-[(3S)-3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one

Systemtic Name: 1-[(3S)-3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one Openeye Name: 1-[(3S)-3-[4-(1-naphthyl)-1H-pyrazol-5-yl]-1-piperidyl]butan-1-one CAS Name: 1-[(3S)-3-[4-(1-naphthalenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-1-butanone IUPAC Name: 1-[(3S)-3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one Traditional Name: 1-[(3S)-3-[4-(1-naphthyl)-1H-pyrazol-5-yl]piperidino]butan-1-one Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCCC(C1)C2=C(C=NN2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCC(=O)N1CCC[C@@H](C1)C2=C(C=NN2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O/c1-2-7-21(26)25-13-6-10-17(15-25)22-20(14-23-24-22)19-12-5-9-16-8-3-4-11-18(16)19/h3-5,8-9,11-12,14,17H,2,6-7,10,13,15H2,1H3,(H,23,24)/t17-/m0/s1