2-azanyl-2-methyl-N-[1-[6-[2-(methylcarbamoylamino)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]propanamide

Systemtic Name: 2-azanyl-2-methyl-N-[1-[6-[2-(methylcarbamoylamino)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]propanamide Openeye Name: 2-amino-N-[1-(benzyloxymethyl)-2-[6-[2-(methylcarbamoylamino)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]-2-methyl-propanamide CAS Name: 2-amino-2-methyl-N-[1-[6-[2-(methylcarbamoylamino)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide IUPAC Name: 2-amino-2-methyl-N-[1-[6-[2-(methylcarbamoylamino)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide Traditional Name: 2-amino-N-[1-(benzoxymethyl)-2-keto-2-[6-[2-(methylcarbamoylamino)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-2-methyl-propionamide Formula: C31H37N5O4 MolecularWeight: 543.65658

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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=CC(=C3)C4=CC=CC=C4NC(=O)NC)N

Isomeric SMILES

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC3=C(C2)C=CC(=C3)C4=CC=CC=C4NC(=O)NC)N

InChI

InChI=1S/C31H37N5O4/c1-31(2,32)29(38)34-27(20-40-19-21-9-5-4-6-10-21)28(37)36-16-15-22-17-23(13-14-24(22)18-36)25-11-7-8-12-26(25)35-30(39)33-3/h4-14,17,27H,15-16,18-20,32H2,1-3H3,(H,34,38)(H2,33,35,39)