N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(diethylamino)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]isoquinoline-3-carboxamide

Systemtic Name: N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(diethylamino)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]isoquinoline-3-carboxamide Openeye Name: N-[(1R)-1-[(4-chlorophenyl)methyl]-2-[4-[2-(diethylamino)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-oxo-ethyl]isoquinoline-3-carboxamide CAS Name: N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(diethylamino)-1-(2-fluorophenyl)ethyl]-1-piperazinyl]-1-oxopropan-2-yl]-3-isoquinolinecarboxamide IUPAC Name: N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(diethylamino)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]isoquinoline-3-carboxamide Traditional Name: N-[(1R)-1-(4-chlorobenzyl)-2-[4-[2-(diethylamino)-1-(2-fluorophenyl)ethyl]piperazino]-2-keto-ethyl]isoquinoline-3-carboxamide Formula: C35H39ClFN5O2 MolecularWeight: 616.167863

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(C1=CC=CC=C1F)N2CCN(CC2)C(=O)C(CC3=CC=C(C=C3)Cl)NC(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

CCN(CC)CC(C1=CC=CC=C1F)N2CCN(CC2)C(=O)[C@@H](CC3=CC=C(C=C3)Cl)NC(=O)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C35H39ClFN5O2/c1-3-40(4-2)24-33(29-11-7-8-12-30(29)37)41-17-19-42(20-18-41)35(44)32(21-25-13-15-28(36)16-14-25)39-34(43)31-22-26-9-5-6-10-27(26)23-38-31/h5-16,22-23,32-33H,3-4,17-21,24H2,1-2H3,(H,39,43)/t32-,33?/m1/s1