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

Systemtic Name: 2-(2-fluorophenyl)-1-oxidanylidene-3-[(4-phenethylpiperazin-1-yl)methyl]-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 2-(2-fluorophenyl)-1-oxo-3-[(4-phenethylpiperazin-1-yl)methyl]-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 2-(2-fluorophenyl)-1-oxo-3-[(4-phenethyl-1-piperazinyl)methyl]-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 2-(2-fluorophenyl)-1-oxo-3-[(4-phenethylpiperazin-1-yl)methyl]-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 2-(2-fluorophenyl)-1-keto-3-[(4-phenethylpiperazino)methyl]-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C38H39FN4O2 MolecularWeight: 602.740263

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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)CCC6=CC=CC=C6

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)CCC6=CC=CC=C6

InChI

InChI=1S/C38H39FN4O2/c1-2-33(29-15-7-4-8-16-29)40-37(44)36-30-17-9-10-18-31(30)38(45)43(34-20-12-11-19-32(34)39)35(36)27-42-25-23-41(24-26-42)22-21-28-13-5-3-6-14-28/h3-20,33H,2,21-27H2,1H3,(H,40,44)/t33-/m0/s1