(E)-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)-N-[(4-pyridin-2-ylphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)-N-[(4-pyridin-2-ylphenyl)methyl]prop-2-enamide Openeye Name: (E)-N-[(1S)-1-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(5-methylisoxazol-3-yl)-N-[[4-(2-pyridyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]-3-(5-methyl-3-isoxazolyl)-N-[[4-(2-pyridinyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)-N-[(4-pyridin-2-ylphenyl)methyl]prop-2-enamide Traditional Name: (E)-N-[(1S)-1-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-3-(5-methylisoxazol-3-yl)-N-[4-(2-pyridyl)benzyl]acrylamide Formula: C37H34N4O3 MolecularWeight: 582.69086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C=CC(=O)N(CC2=CC=C(C=C2)C3=CC=CC=N3)C(CC4=CC=CC=C4)C(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CC1=CC(=NO1)/C=C/C(=O)N(CC2=CC=C(C=C2)C3=CC=CC=N3)[C@@H](CC4=CC=CC=C4)C(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C37H34N4O3/c1-27-23-33(39-44-27)18-19-36(42)41(25-29-14-16-31(17-15-29)34-13-7-8-21-38-34)35(24-28-9-3-2-4-10-28)37(43)40-22-20-30-11-5-6-12-32(30)26-40/h2-19,21,23,35H,20,22,24-26H2,1H3/b19-18+/t35-/m0/s1