N-[1-(7-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]-2-azanyl-2-methyl-propanamide

Systemtic Name: N-[1-(7-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]-2-azanyl-2-methyl-propanamide Openeye Name: N-[2-(7-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-1-(benzyloxymethyl)-2-oxo-ethyl]-2-amino-2-methyl-propanamide CAS Name: N-[1-(7-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide IUPAC Name: N-[1-(7-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide Traditional Name: N-[2-(7-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-1-(benzoxymethyl)-2-keto-ethyl]-2-amino-2-methyl-propionamide Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(CCN(C2)C(=O)C(COCC3=CC=CC=C3)NC(=O)C(C)(C)N)C=C1

Isomeric SMILES

CC(=O)NC1=CC2=C(CCN(C2)C(=O)C(COCC3=CC=CC=C3)NC(=O)C(C)(C)N)C=C1

InChI

InChI=1S/C25H32N4O4/c1-17(30)27-21-10-9-19-11-12-29(14-20(19)13-21)23(31)22(28-24(32)25(2,3)26)16-33-15-18-7-5-4-6-8-18/h4-10,13,22H,11-12,14-16,26H2,1-3H3,(H,27,30)(H,28,32)