cyclohexyl-[(3S,4S)-3-phenyl-4-[[4-[prop-2-enyl-[4-(trifluoromethyl)phenyl]amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]methanone

Systemtic Name: cyclohexyl-[(3S,4S)-3-phenyl-4-[[4-[prop-2-enyl-[4-(trifluoromethyl)phenyl]amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]methanone Openeye Name: [(3S,4S)-3-[[4-[N-allyl-4-(trifluoromethyl)anilino]-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]-cyclohexyl-methanone CAS Name: cyclohexyl-[(3S,4S)-3-phenyl-4-[[4-[N-prop-2-enyl-4-(trifluoromethyl)anilino]-1-piperidinyl]methyl]-1-pyrrolidinyl]methanone IUPAC Name: cyclohexyl-[(3S,4S)-3-phenyl-4-[[4-[N-prop-2-enyl-4-(trifluoromethyl)anilino]piperidin-1-yl]methyl]pyrrolidin-1-yl]methanone Traditional Name: [(3S,4S)-3-[[4-[N-allyl-4-(trifluoromethyl)anilino]piperidino]methyl]-4-phenyl-pyrrolidino]-cyclohexyl-methanone Formula: C33H42F3N3O MolecularWeight: 553.70129

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1CCN(CC1)CC2CN(CC2C3=CC=CC=C3)C(=O)C4CCCCC4)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C=CCN(C1CCN(CC1)C[C@H]2CN(C[C@@H]2C3=CC=CC=C3)C(=O)C4CCCCC4)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C33H42F3N3O/c1-2-19-39(29-15-13-28(14-16-29)33(34,35)36)30-17-20-37(21-18-30)22-27-23-38(32(40)26-11-7-4-8-12-26)24-31(27)25-9-5-3-6-10-25/h2-3,5-6,9-10,13-16,26-27,30-31H,1,4,7-8,11-12,17-24H2/t27-,31+/m0/s1