(2S,5R)-1-[(3-methoxyphenyl)-(4-pyridin-2-ylphenyl)methyl]-2,5-dimethyl-4-prop-2-enyl-piperazine

Systemtic Name: (2S,5R)-1-[(3-methoxyphenyl)-(4-pyridin-2-ylphenyl)methyl]-2,5-dimethyl-4-prop-2-enyl-piperazine Openeye Name: (2R,5S)-1-allyl-4-[(3-methoxyphenyl)-[4-(2-pyridyl)phenyl]methyl]-2,5-dimethyl-piperazine CAS Name: (2S,5R)-1-[(3-methoxyphenyl)-[4-(2-pyridinyl)phenyl]methyl]-2,5-dimethyl-4-prop-2-enylpiperazine IUPAC Name: (2S,5R)-1-[(3-methoxyphenyl)-(4-pyridin-2-ylphenyl)methyl]-2,5-dimethyl-4-prop-2-enylpiperazine Traditional Name: (2R,5S)-1-allyl-4-[(3-methoxyphenyl)-[4-(2-pyridyl)phenyl]methyl]-2,5-dimethyl-piperazine Formula: C28H33N3O MolecularWeight: 427.58112

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC=C(C=C2)C3=CC=CC=N3)C4=CC(=CC=C4)OC)C)CC=C

Isomeric SMILES

C[C@H]1CN([C@@H](CN1C(C2=CC=C(C=C2)C3=CC=CC=N3)C4=CC(=CC=C4)OC)C)CC=C

InChI

InChI=1S/C28H33N3O/c1-5-17-30-19-22(3)31(20-21(30)2)28(25-9-8-10-26(18-25)32-4)24-14-12-23(13-15-24)27-11-6-7-16-29-27/h5-16,18,21-22,28H,1,17,19-20H2,2-4H3/t21-,22+,28?/m1/s1