5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-methyl-3a,6,7,8a-tetrahydropyrrolo[3,2-c]azepine-4,8-dione

Systemtic Name: 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-methyl-3a,6,7,8a-tetrahydropyrrolo[3,2-c]azepine-4,8-dione Openeye Name: 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-methyl-3a,6,7,8a-tetrahydropyrrolo[3,2-c]azepine-4,8-dione CAS Name: 5-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-1-methyl-3a,6,7,8a-tetrahydropyrrolo[3,2-c]azepine-4,8-dione IUPAC Name: 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-methyl-3a,6,7,8a-tetrahydropyrrolo[3,2-c]azepine-4,8-dione Traditional Name: 5-[3-[4-(4-fluorophenyl)piperazino]propyl]-1-methyl-3a,6,7,8a-tetrahydropyrrol[3,2-c]azepine-4,8-quinone Formula: C22H29FN4O2 MolecularWeight: 400.489663

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2C1C(=O)CCN(C2=O)CCCN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C=CC2C1C(=O)CCN(C2=O)CCCN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H29FN4O2/c1-24-11-7-19-21(24)20(28)8-12-27(22(19)29)10-2-9-25-13-15-26(16-14-25)18-5-3-17(23)4-6-18/h3-7,11,19,21H,2,8-10,12-16H2,1H3