6-ethoxy-N-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: 6-ethoxy-N-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: 6-ethoxy-N-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: 6-ethoxy-N-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: 6-ethoxy-N-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide Traditional Name: 6-ethoxy-N-[4-[[4-(4-fluorophenyl)piperazino]methyl]benzyl]-4-keto-1H-quinoline-3-carboxamide Formula: C30H31FN4O3 MolecularWeight: 514.590543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC=C(C=C3)CN4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC=C(C=C3)CN4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H31FN4O3/c1-2-38-25-11-12-28-26(17-25)29(36)27(19-32-28)30(37)33-18-21-3-5-22(6-4-21)20-34-13-15-35(16-14-34)24-9-7-23(31)8-10-24/h3-12,17,19H,2,13-16,18,20H2,1H3,(H,32,36)(H,33,37)