2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[(2S)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[(2S)-2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[(2S)-2-pyrrolidino-2-(2-thienyl)ethyl]acetamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCC(C3=CC=CS3)N4CCCC4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)NC[C@@H](C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C23H27N3O2S/c1-17(27)26-13-10-18-7-2-3-8-19(18)20(26)15-23(28)24-16-21(22-9-6-14-29-22)25-11-4-5-12-25/h2-3,6-10,13-14,20-21H,4-5,11-12,15-16H2,1H3,(H,24,28)/t20-,21+/m1/s1