N,N-diethyl-4-[[(2S,5R)-4-ethyl-2,5-dimethyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]benzamide

Systemtic Name: N,N-diethyl-4-[[(2S,5R)-4-ethyl-2,5-dimethyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]benzamide Openeye Name: N,N-diethyl-4-[[(2S,5R)-4-ethyl-2,5-dimethyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]benzamide CAS Name: N,N-diethyl-4-[[(2S,5R)-4-ethyl-2,5-dimethyl-1-piperazinyl]-(3-methoxyphenyl)methyl]benzamide IUPAC Name: N,N-diethyl-4-[[(2S,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methyl]benzamide Traditional Name: N,N-diethyl-4-[[(2S,5R)-4-ethyl-2,5-dimethyl-piperazino]-(3-methoxyphenyl)methyl]benzamide Formula: C27H39N3O2 MolecularWeight: 437.61746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(N(CC1C)C(C2=CC=C(C=C2)C(=O)N(CC)CC)C3=CC(=CC=C3)OC)C

Isomeric SMILES

CCN1C[C@@H](N(C[C@H]1C)C(C2=CC=C(C=C2)C(=O)N(CC)CC)C3=CC(=CC=C3)OC)C

InChI

InChI=1S/C27H39N3O2/c1-7-28(8-2)27(31)23-15-13-22(14-16-23)26(24-11-10-12-25(17-24)32-6)30-19-20(4)29(9-3)18-21(30)5/h10-17,20-21,26H,7-9,18-19H2,1-6H3/t20-,21+,26?/m1/s1