(E)-but-2-enedioic acid; 4-(4-fluorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

Systemtic Name: (E)-but-2-enedioic acid; 4-(4-fluorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine Openeye Name: 4-(4-fluorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(4-fluorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine IUPAC Name: (E)-but-2-enedioic acid; 4-(4-fluorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine Traditional Name: 4-(4-fluorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine; fumaric acid Formula: C26H32FN3O4 MolecularWeight: 469.548383

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=NC3=C(CCCCC3)C(=C2)C4=CC=C(C=C4)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCCN(CC1)C2=NC3=C(CCCCC3)C(=C2)C4=CC=C(C=C4)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H28FN3.C4H4O4/c1-25-12-5-13-26(15-14-25)22-16-20(17-8-10-18(23)11-9-17)19-6-3-2-4-7-21(19)24-22;5-3(6)1-2-4(7)8/h8-11,16H,2-7,12-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+