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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=CC=CC(=C2C)C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC(=C2C)C)N

InChI

InChI=1S/C18H29N3O/c1-5-13(2)17(19)18(22)21-11-9-20(10-12-21)16-8-6-7-14(3)15(16)4/h6-8,13,17H,5,9-12,19H2,1-4H3/t13-,17-/m0/s1