(4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-(3-pyrazol-1-ylphenyl)carbonylpiperidin-3-yl]methanone

Systemtic Name: (4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-(3-pyrazol-1-ylphenyl)carbonylpiperidin-3-yl]methanone Openeye Name: (4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-(3-pyrazol-1-ylbenzoyl)-3-piperidyl]methanone CAS Name: (4-methoxy-3,5-dimethylphenyl)-[(3S)-1-[oxo-[3-(1-pyrazolyl)phenyl]methyl]-3-piperidinyl]methanone IUPAC Name: (4-methoxy-3,5-dimethylphenyl)-[(3S)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]methanone Traditional Name: (4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-(3-pyrazol-1-ylbenzoyl)-3-piperidyl]methanone Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C(=O)C2CCCN(C2)C(=O)C3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C(=O)[C@H]2CCCN(C2)C(=O)C3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C25H27N3O3/c1-17-13-21(14-18(2)24(17)31-3)23(29)20-8-5-11-27(16-20)25(30)19-7-4-9-22(15-19)28-12-6-10-26-28/h4,6-7,9-10,12-15,20H,5,8,11,16H2,1-3H3/t20-/m0/s1