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

Systemtic Name: (1S,3S,4R)-4-(diethylamino)-3-methoxy-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1S,3S,4R)-2-benzoyl-4-(diethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1S,3S,4R)-2-benzoyl-4-(diethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S,3S,4R)-2-benzoyl-4-(diethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1S,3S,4R)-2-benzoyl-4-(diethylamino)-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1C(N(C(C2=CC=CC=C12)C#N)C(=O)C3=CC=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2/c1-4-24(5-2)20-18-14-10-9-13-17(18)19(15-23)25(22(20)27-3)21(26)16-11-7-6-8-12-16/h6-14,19-20,22H,4-5H2,1-3H3/t19-,20-,22+/m1/s1