N-(4-bromophenyl)-2-[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide CAS Name: N-(4-bromophenyl)-2-[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide Traditional Name: N-(4-bromophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide Formula: C22H24BrN3O2 MolecularWeight: 442.34886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2CC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2CC3=CC=CC=C3CN2CC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H24BrN3O2/c23-18-7-9-19(10-8-18)24-21(27)15-26-14-17-6-2-1-5-16(17)13-20(26)22(28)25-11-3-4-12-25/h1-2,5-10,20H,3-4,11-15H2,(H,24,27)/t20-/m0/s1