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

Systemtic Name: 2-(2-fluorophenyl)-3-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]-1-oxidanylidene-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 2-(2-fluorophenyl)-3-[[4-(1-methyl-4-piperidyl)piperazin-1-yl]methyl]-1-oxo-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 2-(2-fluorophenyl)-3-[[4-(1-methyl-4-piperidinyl)-1-piperazinyl]methyl]-1-oxo-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 2-(2-fluorophenyl)-3-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]-1-oxo-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 2-(2-fluorophenyl)-1-keto-3-[[4-(1-methyl-4-piperidyl)piperazino]methyl]-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C36H42FN5O2 MolecularWeight: 595.749383

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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)C6CCN(CC6)C

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)C6CCN(CC6)C

InChI

InChI=1S/C36H42FN5O2/c1-3-31(26-11-5-4-6-12-26)38-35(43)34-28-13-7-8-14-29(28)36(44)42(32-16-10-9-15-30(32)37)33(34)25-40-21-23-41(24-22-40)27-17-19-39(2)20-18-27/h4-16,27,31H,3,17-25H2,1-2H3,(H,38,43)/t31-/m0/s1