(2S,3S)-2-azanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-pentan-1-one

Systemtic Name: (2S,3S)-2-azanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-pentan-1-one Openeye Name: (2S,3S)-2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-pentan-1-one CAS Name: (2S,3S)-2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-pentanone IUPAC Name: (2S,3S)-2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one Traditional Name: (2S,3S)-2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-pentan-1-one Formula: C15H22N2O MolecularWeight: 246.34798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCC2=CC=CC=C2C1)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC2=CC=CC=C2C1)N

InChI

InChI=1S/C15H22N2O/c1-3-11(2)14(16)15(18)17-9-8-12-6-4-5-7-13(12)10-17/h4-7,11,14H,3,8-10,16H2,1-2H3/t11-,14-/m0/s1