1-[(3S)-3-(4-phenoxyphenyl)carbonylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[(3S)-3-(4-phenoxyphenyl)carbonylpiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one Openeye Name: 1-[(3S)-3-(4-phenoxybenzoyl)-1-piperidyl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one CAS Name: 1-[(3S)-3-[oxo-(4-phenoxyphenyl)methyl]-1-piperidinyl]-3-(1,3,5-trimethyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[(3S)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one Traditional Name: 1-[(3S)-3-(4-phenoxybenzoyl)piperidino]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)N2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3/c1-19-25(20(2)29(3)28-19)15-16-26(31)30-17-7-8-22(18-30)27(32)21-11-13-24(14-12-21)33-23-9-5-4-6-10-23/h4-6,9-14,22H,7-8,15-18H2,1-3H3/t22-/m0/s1