2-(2-fluorophenyl)-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1-oxidanylidene-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide

Systemtic Name: 2-(2-fluorophenyl)-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1-oxidanylidene-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 2-(2-fluorophenyl)-3-[[4-(2-morpholinoethyl)piperazin-1-yl]methyl]-1-oxo-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 2-(2-fluorophenyl)-3-[[4-[2-(4-morpholinyl)ethyl]-1-piperazinyl]methyl]-1-oxo-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 2-(2-fluorophenyl)-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1-oxo-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 2-(2-fluorophenyl)-1-keto-3-[[4-(2-morpholinoethyl)piperazino]methyl]-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C36H42FN5O3 MolecularWeight: 611.748783

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=C4F)CN5CCN(CC5)CCN6CCOCC6

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4F)CN5CCN(CC5)CCN6CCOCC6

InChI

InChI=1S/C36H42FN5O3/c1-2-31(27-10-4-3-5-11-27)38-35(43)34-28-12-6-7-13-29(28)36(44)42(32-15-9-8-14-30(32)37)33(34)26-41-20-18-39(19-21-41)16-17-40-22-24-45-25-23-40/h3-15,31H,2,16-26H2,1H3,(H,38,43)/t31-/m0/s1