(E)-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-3-(2,5-dimethyl-1,3-oxazol-4-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-(2,5-dimethyl-1,3-oxazol-4-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-(2,5-dimethyloxazol-4-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-(2,5-dimethyl-4-oxazolyl)-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-(2,5-dimethyl-1,3-oxazol-4-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-(2,5-dimethyloxazol-4-yl)-N-[4-(2-pyridyl)benzyl]acrylamide Formula: C38H36N4O3 MolecularWeight: 596.71744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C)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=C(N=C(O1)C)/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/C38H36N4O3/c1-27-34(40-28(2)45-27)19-20-37(43)42(25-30-15-17-32(18-16-30)35-14-8-9-22-39-35)36(24-29-10-4-3-5-11-29)38(44)41-23-21-31-12-6-7-13-33(31)26-41/h3-20,22,36H,21,23-26H2,1-2H3/b20-19+/t36-/m0/s1