ethyl 4-[[1-oxidanylidene-2-phenyl-4-(1-phenylpropylcarbamoyl)isoquinolin-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[1-oxidanylidene-2-phenyl-4-(1-phenylpropylcarbamoyl)isoquinolin-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[1-oxo-2-phenyl-4-(1-phenylpropylcarbamoyl)-3-isoquinolyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[1-oxo-4-[oxo-(1-phenylpropylamino)methyl]-2-phenyl-3-isoquinolinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-oxo-2-phenyl-4-(1-phenylpropylcarbamoyl)isoquinolin-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[1-keto-2-phenyl-4-(1-phenylpropylcarbamoyl)-3-isoquinolyl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C33H36N4O4 MolecularWeight: 552.66334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(=O)OCC

InChI

InChI=1S/C33H36N4O4/c1-3-28(24-13-7-5-8-14-24)34-31(38)30-26-17-11-12-18-27(26)32(39)37(25-15-9-6-10-16-25)29(30)23-35-19-21-36(22-20-35)33(40)41-4-2/h5-18,28H,3-4,19-23H2,1-2H3,(H,34,38)