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

Systemtic Name: 2-azanyl-2-methyl-N-[1-[7-(methylcarbamoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]propanamide Openeye Name: 2-amino-N-[1-(benzyloxymethyl)-2-[7-(methylcarbamoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]-2-methyl-propanamide CAS Name: 2-amino-2-methyl-N-[1-[7-(methylcarbamoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide IUPAC Name: 2-amino-2-methyl-N-[1-[7-(methylcarbamoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide Traditional Name: 2-amino-N-[1-(benzoxymethyl)-2-keto-2-[7-(methylcarbamoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-2-methyl-propionamide Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NC)N

Isomeric SMILES

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)NC)N

InChI

InChI=1S/C25H33N5O4/c1-25(2,26)23(32)29-21(16-34-15-17-7-5-4-6-8-17)22(31)30-12-11-18-9-10-20(13-19(18)14-30)28-24(33)27-3/h4-10,13,21H,11-12,14-16,26H2,1-3H3,(H,29,32)(H2,27,28,33)