[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(3S)-3-phenylazanylpiperidin-1-yl]methanone

Systemtic Name: [4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(3S)-3-phenylazanylpiperidin-1-yl]methanone Openeye Name: [(3S)-3-anilino-1-piperidyl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone CAS Name: [(3S)-3-anilino-1-piperidinyl]-[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]methanone IUPAC Name: [(3S)-3-anilinopiperidin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone Traditional Name: [(3S)-3-anilinopiperidino]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone Formula: C24H28N4O MolecularWeight: 388.50532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)N3CCCC(C3)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)N3CCC[C@@H](C3)NC4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4O/c1-18-15-19(2)28(26-18)16-20-10-12-21(13-11-20)24(29)27-14-6-9-23(17-27)25-22-7-4-3-5-8-22/h3-5,7-8,10-13,15,23,25H,6,9,14,16-17H2,1-2H3/t23-/m0/s1