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

Systemtic Name: N-(furan-2-ylmethyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Openeye Name: N-(2-furylmethyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(2-furanylmethyl)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Traditional Name: N-(2-furfuryl)-1-[4-(2-methoxyphenyl)piperazino]isoquinoline-4-carboxamide Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)NCC5=CC=CO5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)NCC5=CC=CO5

InChI

InChI=1S/C26H26N4O3/c1-32-24-11-5-4-10-23(24)29-12-14-30(15-13-29)25-21-9-3-2-8-20(21)22(18-27-25)26(31)28-17-19-7-6-16-33-19/h2-11,16,18H,12-15,17H2,1H3,(H,28,31)