(1S,3S,4R)-4-(dimethylamino)-2-ethanoyl-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1S,3S,4R)-4-(dimethylamino)-2-ethanoyl-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1S,3S,4R)-2-acetyl-4-(dimethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1S,3S,4R)-2-acetyl-4-(dimethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S,3S,4R)-2-acetyl-4-(dimethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1S,3S,4R)-2-acetyl-4-(dimethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2=CC=CC=C2C(C1OC)N(C)C)C#N

Isomeric SMILES

CC(=O)N1[C@@H](C2=CC=CC=C2[C@H]([C@@H]1OC)N(C)C)C#N

InChI

InChI=1S/C15H19N3O2/c1-10(19)18-13(9-16)11-7-5-6-8-12(11)14(17(2)3)15(18)20-4/h5-8,13-15H,1-4H3/t13-,14-,15+/m1/s1