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

Systemtic Name: (1S,3S,4R)-4-(diethylamino)-2-ethanoyl-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1S,3S,4R)-2-acetyl-4-(diethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1S,3S,4R)-2-acetyl-4-(diethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S,3S,4R)-2-acetyl-4-(diethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1S,3S,4R)-2-acetyl-4-(diethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1C(N(C(C2=CC=CC=C12)C#N)C(=O)C)OC

Isomeric SMILES

CCN(CC)[C@H]1[C@@H](N([C@@H](C2=CC=CC=C12)C#N)C(=O)C)OC

InChI

InChI=1S/C17H23N3O2/c1-5-19(6-2)16-14-10-8-7-9-13(14)15(11-18)20(12(3)21)17(16)22-4/h7-10,15-17H,5-6H2,1-4H3/t15-,16-,17+/m1/s1