(3S,4S)-1-[(3,5-dimethyl-2-oxidanyl-phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol

Systemtic Name: (3S,4S)-1-[(3,5-dimethyl-2-oxidanyl-phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Openeye Name: (3S,4S)-1-[(2-hydroxy-3,5-dimethyl-phenyl)methyl]-4-[4-(2-pyridyl)piperazin-1-yl]pyrrolidin-3-ol CAS Name: (3S,4S)-1-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4-[4-(2-pyridinyl)-1-piperazinyl]-3-pyrrolidinol IUPAC Name: (3S,4S)-1-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Traditional Name: (3S,4S)-1-(2-hydroxy-3,5-dimethyl-benzyl)-4-[4-(2-pyridyl)piperazino]pyrrolidin-3-ol Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CN2CC(C(C2)O)N3CCN(CC3)C4=CC=CC=N4)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CN2C[C@@H]([C@H](C2)O)N3CCN(CC3)C4=CC=CC=N4)O)C

InChI

InChI=1S/C22H30N4O2/c1-16-11-17(2)22(28)18(12-16)13-24-14-19(20(27)15-24)25-7-9-26(10-8-25)21-5-3-4-6-23-21/h3-6,11-12,19-20,27-28H,7-10,13-15H2,1-2H3/t19-,20-/m0/s1