2-[2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]-N-[(1S)-1-phenylethyl]benzamide

Systemtic Name: 2-[2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoylamino]-N-[(1S)-1-phenylethyl]benzamide Openeye Name: 2-[[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide CAS Name: 2-[[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-oxoethyl]amino]-N-[(1S)-1-phenylethyl]benzamide IUPAC Name: 2-[[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide Traditional Name: 2-[[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[C@@H]3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C28H27N3O3/c1-19(21-10-4-3-5-11-21)29-28(34)24-14-8-9-15-25(24)30-27(33)18-26-23-13-7-6-12-22(23)16-17-31(26)20(2)32/h3-17,19,26H,18H2,1-2H3,(H,29,34)(H,30,33)/t19-,26+/m0/s1