(1S,3S,4R)-3-methoxy-4-(methylamino)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1S,3S,4R)-3-methoxy-4-(methylamino)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-(methylamino)-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-(methylamino)-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-(methylamino)-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-(methylamino)-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

CNC1C(N(C(C2=CC=CC=C12)C#N)C(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CN[C@H]1[C@@H](N([C@@H](C2=CC=CC=C12)C#N)C(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C19H19N3O2/c1-21-17-15-11-7-6-10-14(15)16(12-20)22(19(17)24-2)18(23)13-8-4-3-5-9-13/h3-11,16-17,19,21H,1-2H3/t16-,17-,19+/m1/s1