4-[(S)-[(2S,5R)-2,5-dimethyl-4-propyl-piperazin-1-yl]-phenyl-methyl]-N,N-diethyl-benzamide

Systemtic Name: 4-[(S)-[(2S,5R)-2,5-dimethyl-4-propyl-piperazin-1-yl]-phenyl-methyl]-N,N-diethyl-benzamide Openeye Name: 4-[(S)-[(2S,5R)-2,5-dimethyl-4-propyl-piperazin-1-yl]-phenyl-methyl]-N,N-diethyl-benzamide CAS Name: 4-[(S)-[(2S,5R)-2,5-dimethyl-4-propyl-1-piperazinyl]-phenylmethyl]-N,N-diethylbenzamide IUPAC Name: 4-[(S)-[(2S,5R)-2,5-dimethyl-4-propylpiperazin-1-yl]-phenylmethyl]-N,N-diethylbenzamide Traditional Name: 4-[(S)-[(2S,5R)-2,5-dimethyl-4-propyl-piperazino]-phenyl-methyl]-N,N-diethyl-benzamide Formula: C27H39N3O MolecularWeight: 421.61806

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(N(CC1C)C(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)N(CC)CC)C

Isomeric SMILES

CCCN1C[C@@H](N(C[C@H]1C)[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)N(CC)CC)C

InChI

InChI=1S/C27H39N3O/c1-6-18-29-19-22(5)30(20-21(29)4)26(23-12-10-9-11-13-23)24-14-16-25(17-15-24)27(31)28(7-2)8-3/h9-17,21-22,26H,6-8,18-20H2,1-5H3/t21-,22+,26+/m1/s1