(E)-2-methyl-1-[(3S)-3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]but-2-en-1-one

Systemtic Name: (E)-2-methyl-1-[(3S)-3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]but-2-en-1-one Openeye Name: (E)-2-methyl-1-[(3S)-3-[4-(1-naphthyl)-1H-pyrazol-5-yl]-1-piperidyl]but-2-en-1-one CAS Name: (E)-2-methyl-1-[(3S)-3-[4-(1-naphthalenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-buten-1-one IUPAC Name: (E)-2-methyl-1-[(3S)-3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]but-2-en-1-one Traditional Name: (E)-2-methyl-1-[(3S)-3-[4-(1-naphthyl)-1H-pyrazol-5-yl]piperidino]but-2-en-1-one Formula: C23H25N3O MolecularWeight: 359.4641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O/c1-3-16(2)23(27)26-13-7-10-18(15-26)22-21(14-24-25-22)20-12-6-9-17-8-4-5-11-19(17)20/h3-6,8-9,11-12,14,18H,7,10,13,15H2,1-2H3,(H,24,25)/b16-3+/t18-/m0/s1