2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]ethanamide

Systemtic Name: 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]ethanamide Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]acetamide CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]acetamide IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]acetamide Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]acetamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)C[C@H]2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C22H23N3O4/c1-15(18-8-6-9-19(13-18)25(28)29)23(3)22(27)14-21-20-10-5-4-7-17(20)11-12-24(21)16(2)26/h4-13,15,21H,14H2,1-3H3/t15-,21+/m1/s1