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

Systemtic Name: cyclohexyl-[(3S,4S)-3-phenyl-4-[[4-[prop-2-enyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]methanone Openeye Name: [(3S,4S)-3-[[4-[allyl(3-pyridyl)amino]-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]-cyclohexyl-methanone CAS Name: cyclohexyl-[(3S,4S)-3-phenyl-4-[[4-[prop-2-enyl(3-pyridinyl)amino]-1-piperidinyl]methyl]-1-pyrrolidinyl]methanone IUPAC Name: cyclohexyl-[(3S,4S)-3-phenyl-4-[[4-[prop-2-enyl(pyridin-3-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]methanone Traditional Name: [(3S,4S)-3-[[4-[allyl(3-pyridyl)amino]piperidino]methyl]-4-phenyl-pyrrolidino]-cyclohexyl-methanone Formula: C31H42N4O MolecularWeight: 486.69138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N4O/c1-2-18-35(29-14-9-17-32-21-29)28-15-19-33(20-16-28)22-27-23-34(31(36)26-12-7-4-8-13-26)24-30(27)25-10-5-3-6-11-25/h2-3,5-6,9-11,14,17,21,26-28,30H,1,4,7-8,12-13,15-16,18-20,22-24H2/t27-,30+/m0/s1