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

Systemtic Name: (1S,3S,4R)-3-methoxy-2-(phenylcarbonyl)-4-pyrrolidin-1-yl-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-pyrrolidin-1-yl-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-(1-pyrrolidinyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-pyrrolidin-1-yl-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1S,3S,4R)-2-benzoyl-3-methoxy-4-pyrrolidino-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C22H23N3O2 MolecularWeight: 361.43692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(C2=CC=CC=C2C(N1C(=O)C3=CC=CC=C3)C#N)N4CCCC4

Isomeric SMILES

CO[C@H]1[C@@H](C2=CC=CC=C2[C@H](N1C(=O)C3=CC=CC=C3)C#N)N4CCCC4

InChI

InChI=1S/C22H23N3O2/c1-27-22-20(24-13-7-8-14-24)18-12-6-5-11-17(18)19(15-23)25(22)21(26)16-9-3-2-4-10-16/h2-6,9-12,19-20,22H,7-8,13-14H2,1H3/t19-,20-,22+/m1/s1