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

Systemtic Name: 4-[[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-phenyl-methyl]-N,N-diethyl-benzamide Openeye Name: 4-[[(2S,5R)-4-allyl-2,5-dimethyl-piperazin-1-yl]-phenyl-methyl]-N,N-diethyl-benzamide CAS Name: 4-[[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-phenylmethyl]-N,N-diethylbenzamide IUPAC Name: 4-[[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-phenylmethyl]-N,N-diethylbenzamide Traditional Name: 4-[[(2S,5R)-4-allyl-2,5-dimethyl-piperazino]-phenyl-methyl]-N,N-diethyl-benzamide Formula: C27H37N3O MolecularWeight: 419.60218

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)N3CC(N(CC3C)CC=C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C[C@H](N(C[C@@H]3C)CC=C)C

InChI

InChI=1S/C27H37N3O/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/h6,9-17,21-22,26H,1,7-8,18-20H2,2-5H3/t21-,22+,26?/m1/s1