[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-(4-phenoxyphenyl)methanone

Systemtic Name: [(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-(4-phenoxyphenyl)methanone Openeye Name: [(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-piperidyl]-(4-phenoxyphenyl)methanone CAS Name: [(3S)-1-[(1,3-dimethyl-4-pyrazolyl)methyl]-3-piperidinyl]-(4-phenoxyphenyl)methanone IUPAC Name: [(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-(4-phenoxyphenyl)methanone Traditional Name: [(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-piperidyl]-(4-phenoxyphenyl)methanone Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCCC(C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1CN2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C24H27N3O2/c1-18-21(15-26(2)25-18)17-27-14-6-7-20(16-27)24(28)19-10-12-23(13-11-19)29-22-8-4-3-5-9-22/h3-5,8-13,15,20H,6-7,14,16-17H2,1-2H3/t20-/m0/s1