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

Systemtic Name: (2S)-2-azanyl-4-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-one Openeye Name: (2S)-2-amino-4-methyl-1-[4-(m-tolylmethyl)piperazin-1-yl]pentan-1-one CAS Name: (2S)-2-amino-4-methyl-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-1-pentanone IUPAC Name: (2S)-2-amino-4-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-one Traditional Name: (2S)-2-amino-4-methyl-1-[4-(3-methylbenzyl)piperazino]pentan-1-one Formula: C18H29N3O MolecularWeight: 303.44236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O/c1-14(2)11-17(19)18(22)21-9-7-20(8-10-21)13-16-6-4-5-15(3)12-16/h4-6,12,14,17H,7-11,13,19H2,1-3H3/t17-/m0/s1