1-azanyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide

Systemtic Name: 1-azanyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide Openeye Name: 1-amino-5-[4-(4-fluorophenyl)piperazin-1-yl]-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide CAS Name: 1-amino-5-[4-(4-fluorophenyl)-1-piperazinyl]-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide IUPAC Name: 1-amino-5-[4-(4-fluorophenyl)piperazin-1-yl]-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide Traditional Name: 1-amino-5-[4-(4-fluorophenyl)piperazino]-6,7,8,9-tetrahydrothien[2,3-c]isoquinoline-2-carboxamide Formula: C22H24FN5OS MolecularWeight: 425.522263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)N)N)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)N)N)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H24FN5OS/c23-13-5-7-14(8-6-13)27-9-11-28(12-10-27)21-16-4-2-1-3-15(16)17-18(24)19(20(25)29)30-22(17)26-21/h5-8H,1-4,9-12,24H2,(H2,25,29)