(2S)-2-azanyl-3-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]butan-1-one

Systemtic Name: (2S)-2-azanyl-3-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]butan-1-one Openeye Name: (2S)-2-amino-3-methyl-1-[4-(m-tolylmethyl)piperazin-1-yl]butan-1-one CAS Name: (2S)-2-amino-3-methyl-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: (2S)-2-amino-3-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]butan-1-one Traditional Name: (2S)-2-amino-3-methyl-1-[4-(3-methylbenzyl)piperazino]butan-1-one Formula: C17H27N3O MolecularWeight: 289.41578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C(C(C)C)N

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)[C@H](C(C)C)N

InChI

InChI=1S/C17H27N3O/c1-13(2)16(18)17(21)20-9-7-19(8-10-20)12-15-6-4-5-14(3)11-15/h4-6,11,13,16H,7-10,12,18H2,1-3H3/t16-/m0/s1