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

Systemtic Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-(2-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-2-(2-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]-1-keto-2-(2-methoxyphenyl)isoquinoline-4-carboxamide Formula: C29H27FN4O4 MolecularWeight: 514.547483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

COC1=CC=CC=C1N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C29H27FN4O4/c1-38-26-13-7-6-12-25(26)34-19-22(20-8-2-3-9-21(20)29(34)37)28(36)31-18-27(35)33-16-14-32(15-17-33)24-11-5-4-10-23(24)30/h2-13,19H,14-18H2,1H3,(H,31,36)