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

Systemtic Name: (3S,4S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Openeye Name: (3S,4S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-[4-(2-pyridyl)piperazin-1-yl]pyrrolidin-3-ol CAS Name: (3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[4-(2-pyridinyl)-1-piperazinyl]-3-pyrrolidinol IUPAC Name: (3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Traditional Name: (3S,4S)-1-(4-methoxy-3-methyl-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=C(C=CC(=C1)CN2CC(C(C2)O)N3CCN(CC3)C4=CC=CC=N4)OC

Isomeric SMILES

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

InChI

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