(2S)-2-azanyl-1-[(3S)-3-(dimethylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(2,6-dimethyl-4-oxidanyl-phenyl)propan-1-one

Systemtic Name: (2S)-2-azanyl-1-[(3S)-3-(dimethylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(2,6-dimethyl-4-oxidanyl-phenyl)propan-1-one Openeye Name: (2S)-2-amino-1-[(3S)-3-(dimethylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-hydroxy-2,6-dimethyl-phenyl)propan-1-one CAS Name: (2S)-2-amino-1-[(3S)-3-(dimethylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-1-propanone IUPAC Name: (2S)-2-amino-1-[(3S)-3-(dimethylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propan-1-one Traditional Name: (2S)-2-amino-1-[(3S)-3-(dimethylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-hydroxy-2,6-dimethyl-phenyl)propan-1-one Formula: C23H31N3O2 MolecularWeight: 381.51114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2CN(C)C)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)N2CC3=CC=CC=C3C[C@H]2CN(C)C)N)C)O

InChI

InChI=1S/C23H31N3O2/c1-15-9-20(27)10-16(2)21(15)12-22(24)23(28)26-13-18-8-6-5-7-17(18)11-19(26)14-25(3)4/h5-10,19,22,27H,11-14,24H2,1-4H3/t19-,22-/m0/s1