4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxidanylidene-3,4-dihydroisoquinolin-5-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxidanylidene-3,4-dihydroisoquinolin-5-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]benzonitrile CAS Name: 4-[2-[2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]benzonitrile IUPAC Name: 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]benzonitrile Traditional Name: 4-[1-keto-2-[2-[(2R)-2-methylpyrrolidino]ethyl]-3,4-dihydroisoquinolin-5-yl]benzonitrile Formula: C23H25N3O MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1CCN2CCC3=C(C=CC=C3C2=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@@H]1CCCN1CCN2CCC3=C(C=CC=C3C2=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H25N3O/c1-17-4-3-12-25(17)14-15-26-13-11-21-20(5-2-6-22(21)23(26)27)19-9-7-18(16-24)8-10-19/h2,5-10,17H,3-4,11-15H2,1H3/t17-/m1/s1