(2S)-1-[[(3S)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[[(3S)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(3S)-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[[(3S)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]-oxomethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(3S)-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(3S)-7-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carbonitrile Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC(NC2)C(=O)N3CCCC3C#N)C=C1

Isomeric SMILES

COC1=CC2=C(C[C@H](NC2)C(=O)N3CCC[C@H]3C#N)C=C1

InChI

InChI=1S/C16H19N3O2/c1-21-14-5-4-11-8-15(18-10-12(11)7-14)16(20)19-6-2-3-13(19)9-17/h4-5,7,13,15,18H,2-3,6,8,10H2,1H3/t13-,15-/m0/s1