N-[2-[2-(3-acetamidophenyl)ethanoyl]-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanamide

Systemtic Name: N-[2-[2-(3-acetamidophenyl)ethanoyl]-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanamide Openeye Name: N-[2-[2-(3-acetamidophenyl)acetyl]-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: N-[2-[2-(3-acetamidophenyl)-1-oxoethyl]-1-(1-pyrrolidinylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide IUPAC Name: N-[2-[2-(3-acetamidophenyl)acetyl]-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Traditional Name: N-[2-[2-(3-acetamidophenyl)acetyl]-1-(pyrrolidinomethyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(CCN(C2CN3CCCC3)C(=O)CC4=CC(=CC=C4)NC(=O)C)C=C1

Isomeric SMILES

CC(=O)NC1=CC2=C(CCN(C2CN3CCCC3)C(=O)CC4=CC(=CC=C4)NC(=O)C)C=C1

InChI

InChI=1S/C26H32N4O3/c1-18(31)27-22-7-5-6-20(14-22)15-26(33)30-13-10-21-8-9-23(28-19(2)32)16-24(21)25(30)17-29-11-3-4-12-29/h5-9,14,16,25H,3-4,10-13,15,17H2,1-2H3,(H,27,31)(H,28,32)