(3,4-dimethylphenyl)-[(2S)-2-(piperazin-1-ylmethyl)pyrrolidin-1-yl]methanone

Systemtic Name: (3,4-dimethylphenyl)-[(2S)-2-(piperazin-1-ylmethyl)pyrrolidin-1-yl]methanone Openeye Name: (3,4-dimethylphenyl)-[(2S)-2-(piperazin-1-ylmethyl)pyrrolidin-1-yl]methanone CAS Name: (3,4-dimethylphenyl)-[(2S)-2-(1-piperazinylmethyl)-1-pyrrolidinyl]methanone IUPAC Name: (3,4-dimethylphenyl)-[(2S)-2-(piperazin-1-ylmethyl)pyrrolidin-1-yl]methanone Traditional Name: (3,4-dimethylphenyl)-[(2S)-2-(piperazinomethyl)pyrrolidino]methanone Formula: C18H27N3O MolecularWeight: 301.42648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCC2CN3CCNCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC[C@H]2CN3CCNCC3)C

InChI

InChI=1S/C18H27N3O/c1-14-5-6-16(12-15(14)2)18(22)21-9-3-4-17(21)13-20-10-7-19-8-11-20/h5-6,12,17,19H,3-4,7-11,13H2,1-2H3/t17-/m0/s1