N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide

Systemtic Name: N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Openeye Name: N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Traditional Name: N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazino]isoquinoline-4-carboxamide Formula: C27H25FN4O2 MolecularWeight: 456.511403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C27H25FN4O2/c1-34-25-9-5-4-8-24(25)31-14-16-32(17-15-31)26-22-7-3-2-6-21(22)23(18-29-26)27(33)30-20-12-10-19(28)11-13-20/h2-13,18H,14-17H2,1H3,(H,30,33)