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

Systemtic Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-1-oxidanylidene-3-[(4-phenethylpiperazin-1-yl)methyl]-2-phenyl-isoquinoline-4-carboxamide Openeye Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-1-oxo-3-[(4-phenethylpiperazin-1-yl)methyl]-2-phenyl-isoquinoline-4-carboxamide CAS Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-1-oxo-3-[(4-phenethyl-1-piperazinyl)methyl]-2-phenyl-4-isoquinolinecarboxamide IUPAC Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-1-oxo-3-[(4-phenethylpiperazin-1-yl)methyl]-2-phenylisoquinoline-4-carboxamide Traditional Name: N-[cyclopropyl-(3-fluorophenyl)methyl]-1-keto-3-[(4-phenethylpiperazino)methyl]-2-phenyl-isoquinoline-4-carboxamide Formula: C39H39FN4O2 MolecularWeight: 614.750963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2=CC(=CC=C2)F)NC(=O)C3=C(N(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)CN6CCN(CC6)CCC7=CC=CC=C7

Isomeric SMILES

C1CC1C(C2=CC(=CC=C2)F)NC(=O)C3=C(N(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)CN6CCN(CC6)CCC7=CC=CC=C7

InChI

InChI=1S/C39H39FN4O2/c40-31-13-9-12-30(26-31)37(29-18-19-29)41-38(45)36-33-16-7-8-17-34(33)39(46)44(32-14-5-2-6-15-32)35(36)27-43-24-22-42(23-25-43)21-20-28-10-3-1-4-11-28/h1-17,26,29,37H,18-25,27H2,(H,41,45)