4-phenyl-1-[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one

Systemtic Name: 4-phenyl-1-[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Openeye Name: 4-phenyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one CAS Name: 1-[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenyl-1-butanone IUPAC Name: 4-phenyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Traditional Name: 4-phenyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Formula: C24H28N2O2 MolecularWeight: 376.49132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2C(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O2/c27-23(14-8-11-19-9-2-1-3-10-19)26-18-21-13-5-4-12-20(21)17-22(26)24(28)25-15-6-7-16-25/h1-5,9-10,12-13,22H,6-8,11,14-18H2/t22-/m0/s1