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

Systemtic Name: (1S,3S,4R)-4-(dimethylamino)-3-methoxy-2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1S,3S,4R)-4-(dimethylamino)-3-methoxy-2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1S,3S,4R)-4-(dimethylamino)-3-methoxy-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S,3S,4R)-4-(dimethylamino)-3-methoxy-2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1S,3S,4R)-4-(dimethylamino)-3-methoxy-2-propionyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C16H21N3O2 MolecularWeight: 287.35684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-5-14(20)19-13(10-17)11-8-6-7-9-12(11)15(18(2)3)16(19)21-4/h6-9,13,15-16H,5H2,1-4H3/t13-,15-,16+/m1/s1