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

Systemtic Name: (E)-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-N-[(4-pyrazin-2-ylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[(1S)-1-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]-N-[[4-(2-pyrazinyl)phenyl]methyl]-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]-N-[(4-pyrazin-2-ylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[(1S)-1-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-N-(4-pyrazin-2-ylbenzyl)-3-(1,3,5-trimethylpyrazol-4-yl)acrylamide Formula: C38H38N6O2 MolecularWeight: 610.74732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)N(CC2=CC=C(C=C2)C3=NC=CN=C3)C(CC4=CC=CC=C4)C(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)N(CC2=CC=C(C=C2)C3=NC=CN=C3)[C@@H](CC4=CC=CC=C4)C(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C38H38N6O2/c1-27-34(28(2)42(3)41-27)17-18-37(45)44(25-30-13-15-32(16-14-30)35-24-39-20-21-40-35)36(23-29-9-5-4-6-10-29)38(46)43-22-19-31-11-7-8-12-33(31)26-43/h4-18,20-21,24,36H,19,22-23,25-26H2,1-3H3/b18-17+/t36-/m0/s1